3,3,4-Trimethylpiperidine

CAT: 0926-LIC71519-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LIC71519-01Size:50 mg

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CAS Number

1461715-19-4

MDL Number

MFCD25970536

Smiles

CC1CCNCC1 (C) C

Molecular Formula

C8H17N

Molecular Weight

127.23 g/mol

Controlled

Chemical Information

3,3,4-Trimethylpiperidine

CAS Number	1461715-19-4
PubChem CID	59116030
IUPAC Name	3,3,4-trimethylpiperidine
Molecular Formula	C8H17N
Molecular Weight	127.23
XLogP	1.9
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	96

SMILES

CC1CCNCC1(C)C

InChI

InChI=1S/C8H17N/c1-7-4-5-9-6-8(7,2)3/h7,9H,4-6H2,1-3H3

InChIKey

VXHWPIAGYKZENK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1461715-19-4

CID: 59116030

Formula: C8H17N

MW: 127.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.23
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	127.136099547
Monoisotopic Mass	127.136099547
Topological Polar Surface Area	12 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	96.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TDA47452-01	2,3,3-Trimethylpiperidine
MBA83246-01	3,3,5-Trimethylpiperidine
XWC11866-01	2,3,5-Trimethylpiperidine
MKD78439-01	Ethyl 2,4,6-trimethylpiperidine-3-carboxylate hydrochloride
CVD03355-01	1,4,4-Trimethylpiperidine-2,5-dione
XIB97274-01	2,5,5-Trimethylpiperidine hydrochloride
NKD14563-01	2,2,6-Trimethylpiperidine hydrochloride
UCA68214-01	Rac- (2R,4R,6S) -2,4,6-Trimethylpiperidine hydrochloride
UEC16164-01	1,3,3-trimethylpiperidin-4-amine
ZZB61650-01	N,1,3-Trimethylpiperidin-4-amine

Catalog	Name
428016-01	(3R) -3-Benzyl-N, N', N'-trimethylpiperidine-3-carbohydrazide
OR1032598-01	(R) -3-benzyl-N, N', N'-trimethylpiperidine-3-carbohydrazide dihydrochloride
OR1077305-01	N, N,1-trimethylpiperidine-4-carboxamide
OR1060046-01	Rel- (2R,4r,6S) -2,4,6-Trimethylpiperidine hydrochloride
B810001	Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
HY-W009390S-01	DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
sc-480128A	DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
TRC-H591292-250MG	DL-Homocystine-3,3,3',3',4,4,4',4'-d8
TRC-H591362-1MG	L-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
PC49624	3,3,4,4,4-Pentafluorobutylamine