1-benzhydryl-3-ethylpiperidine

C20H25N — CID 22970041

IUPAC1-benzhydryl-3-ethylpiperidine
SMILESCCC1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25N/c1-2-17-10-9-15-21(16-17)20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3
InChIKeyCJJKVFZBANTHKF-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.90
Rot. Bonds4

About 1-benzhydryl-3-ethylpiperidine

1-benzhydryl-3-ethylpiperidine (PubChem CID 22970041) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-benzhydryl-3-ethylpiperidine.

Molecular Properties

Compound Name1-benzhydryl-3-ethylpiperidine
PubChem CID22970041
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-benzhydryl-3-ethylpiperidine
SMILESCCC1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25N/c1-2-17-10-9-15-21(16-17)20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3
InChIKeyCJJKVFZBANTHKF-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-benzhydrylpiperidin-3-amine
CID 126674117
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
CID 63467927
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
CID 98764853
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
(3R)-1-benzhydryl-3-methylsulfonylpiperidine
CID 125141980
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
CID 64536940
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-ethylpiperidine?
The IUPAC name of 1-benzhydryl-3-ethylpiperidine (CID 22970041) is 1-benzhydryl-3-ethylpiperidine.
What is the SMILES notation for 1-benzhydryl-3-ethylpiperidine?
The canonical SMILES for 1-benzhydryl-3-ethylpiperidine is CCC1CCCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-ethylpiperidine?
The InChIKey is CJJKVFZBANTHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-17-10-9-15-21(16-17)20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3.
What are the key properties of 1-benzhydryl-3-ethylpiperidine?
1-benzhydryl-3-ethylpiperidine has a molecular weight of 279.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-ethylpiperidine is sourced from PubChem (CID 22970041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).