Budipine hydrochloride

CAT: 0926-FB172928-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FB172928-01Size:0.1 g

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CAS Number

63661-61-0

Smiles

CC (C) (C) N1CCC (CC1) (C2=CC=CC=C2) C3=CC=CC=C3.Cl

Molecular Formula

C21H28ClN

Molecular Weight

329.91 g/mol

Controlled

Chemical Information

Piperidine, 1-(1,1-dimethylethyl)-4,4-diphenyl-, hydrochloride (1:1)

CAS Number	63661-61-0
PubChem CID	3030419
IUPAC Name	1-tert-butyl-4,4-diphenylpiperidine;hydrochloride
Molecular Formula	C21H28ClN
Molecular Weight	329.9
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	313

SMILES

CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H27N.ClH/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H

InChIKey

USUUKNCFNKZGEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63661-61-0

CID: 3030419

Formula: C21H28ClN

MW: 329.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	329.1910276
Monoisotopic Mass	329.1910276
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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