Ifenprodil

CAT: 0127-BUP09455-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09455-02Size:10 mg

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CAS Number

23210-56-2

Synonyms

RC-61-91, RC61-91, RC 6191, RC 61-91

Purity

=98%

Smiles

C(C1CCN(C(C(O)C2=CC=C(O)C=C2)C)CC1)C3=CC=CC=C3

Chemical Information

Ifenprodil

4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol is a member of piperidines.

CAS Number	23210-56-2
PubChem CID	3689
IUPAC Name	4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Molecular Formula	C21H27NO2
Molecular Weight	325.4
XLogP	3.9
Topological Polar Surface Area	43.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	353

SMILES

CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3

InChIKey

UYNVMODNBIQBMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23210-56-2

CID: 3689

Formula: C21H27NO2

MW: 325.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.4
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	325.204179104
Monoisotopic Mass	325.204179104
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes