2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

C19H27NO2 — CID 110883117

IUPAC2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H27NO2/c21-18(14-15-6-4-5-7-15)20-12-10-17(11-13-20)19(22)16-8-2-1-3-9-16/h1-3,8-9,15,17,19,22H,4-7,10-14H2
InChIKeyOFHYDLXSNUEJEB-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.54
Rot. Bonds4

About 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 110883117) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
PubChem CID110883117
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H27NO2/c21-18(14-15-6-4-5-7-15)20-12-10-17(11-13-20)19(22)16-8-2-1-3-9-16/h1-3,8-9,15,17,19,22H,4-7,10-14H2
InChIKeyOFHYDLXSNUEJEB-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-methylpyrrolidin-1-yl)ethanone
CID 111446715
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 111110060
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 87015862

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (CID 110883117) is 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OFHYDLXSNUEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18(14-15-6-4-5-7-15)20-12-10-17(11-13-20)19(22)16-8-2-1-3-9-16/h1-3,8-9,15,17,19,22H,4-7,10-14H2.
What are the key properties of 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110883117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).