1-butyl-3,4-diphenylpiperidine;hydrochloride

C21H28ClN — CID 3030420

IUPAC1-butyl-3,4-diphenylpiperidine;hydrochloride
SMILESCCCCN1CCC(c2ccccc2)C(c2ccccc2)C1.Cl
InChIInChI=1S/C21H27N.ClH/c1-2-3-15-22-16-14-20(18-10-6-4-7-11-18)21(17-22)19-12-8-5-9-13-19;/h4-13,20-21H,2-3,14-17H2,1H3;1H
InChIKeyUXXJHMIXTBYWOJ-UHFFFAOYSA-N
MW329.92 g/mol
LogP5.48
Rot. Bonds5

About 1-butyl-3,4-diphenylpiperidine;hydrochloride

1-butyl-3,4-diphenylpiperidine;hydrochloride (PubChem CID 3030420) has the molecular formula C21H28ClN and a molecular weight of 329.92 g/mol. Its IUPAC name is 1-butyl-3,4-diphenylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-butyl-3,4-diphenylpiperidine;hydrochloride
PubChem CID3030420
Molecular FormulaC21H28ClN
Molecular Weight329.92 g/mol
Exact Mass329.19
IUPAC Name1-butyl-3,4-diphenylpiperidine;hydrochloride
SMILESCCCCN1CCC(c2ccccc2)C(c2ccccc2)C1.Cl
InChIInChI=1S/C21H27N.ClH/c1-2-3-15-22-16-14-20(18-10-6-4-7-11-18)21(17-22)19-12-8-5-9-13-19;/h4-13,20-21H,2-3,14-17H2,1H3;1H
InChIKeyUXXJHMIXTBYWOJ-UHFFFAOYSA-N
XLogP5.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.92
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
CID 70364830
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
CID 129373468
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
CID 119923167
[(3R,4S)-1-butyl-4-[4-(dimethylamino)phenyl]piperidin-3-yl]methanol
CID 18653697
[1-butyl-4-[4-(dimethylamino)phenyl]piperidin-3-yl]methanol
CID 19014393
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
2-(1-butylpiperidin-4-yl)-1-oxidopyridin-1-ium
CID 59974757
3-benzyl-1-octylpyrrolidine
CID 58576677
[(3R,4S)-1-pentyl-4-phenylpiperidin-3-yl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 70082751
(3S,4R)-3-(benzenesulfonylmethyl)-4-(4-fluorophenyl)-1-pentylpiperidine
CID 70364796

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-diphenylpiperidine;hydrochloride?
The IUPAC name of 1-butyl-3,4-diphenylpiperidine;hydrochloride (CID 3030420) is 1-butyl-3,4-diphenylpiperidine;hydrochloride.
What is the SMILES notation for 1-butyl-3,4-diphenylpiperidine;hydrochloride?
The canonical SMILES for 1-butyl-3,4-diphenylpiperidine;hydrochloride is CCCCN1CCC(c2ccccc2)C(c2ccccc2)C1.Cl.
What is the InChIKey of 1-butyl-3,4-diphenylpiperidine;hydrochloride?
The InChIKey is UXXJHMIXTBYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N.ClH/c1-2-3-15-22-16-14-20(18-10-6-4-7-11-18)21(17-22)19-12-8-5-9-13-19;/h4-13,20-21H,2-3,14-17H2,1H3;1H.
What are the key properties of 1-butyl-3,4-diphenylpiperidine;hydrochloride?
1-butyl-3,4-diphenylpiperidine;hydrochloride has a molecular weight of 329.92 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-diphenylpiperidine;hydrochloride is sourced from PubChem (CID 3030420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).