1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone

C19H27NO — CID 127122886

IUPAC1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H27NO/c21-19(15-17-8-4-5-9-17)20-12-10-18(11-13-20)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyXYTUTWUNJJKUJF-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone

1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone (PubChem CID 127122886) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
PubChem CID127122886
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H27NO/c21-19(15-17-8-4-5-9-17)20-12-10-18(11-13-20)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyXYTUTWUNJJKUJF-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone (CID 127122886) is 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone?
The InChIKey is XYTUTWUNJJKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-19(15-17-8-4-5-9-17)20-12-10-18(11-13-20)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone?
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone has a molecular weight of 285.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone is sourced from PubChem (CID 127122886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).