1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone

C19H26ClNO2 — CID 111112309

IUPAC1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClNO2/c20-17-7-5-15(6-8-17)19(23)16-9-11-21(12-10-16)18(22)13-14-3-1-2-4-14/h5-8,14,16,19,23H,1-4,9-13H2
InChIKeyWDHYTEABHKIRGG-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.19
Rot. Bonds4

About 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone

1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone (PubChem CID 111112309) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
PubChem CID111112309
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClNO2/c20-17-7-5-15(6-8-17)19(23)16-9-11-21(12-10-16)18(22)13-14-3-1-2-4-14/h5-8,14,16,19,23H,1-4,9-13H2
InChIKeyWDHYTEABHKIRGG-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
CID 120562532
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119780448
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119321794
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(thiolan-2-yl)methanone
CID 111477424
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone (CID 111112309) is 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone?
The InChIKey is WDHYTEABHKIRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO2/c20-17-7-5-15(6-8-17)19(23)16-9-11-21(12-10-16)18(22)13-14-3-1-2-4-14/h5-8,14,16,19,23H,1-4,9-13H2.
What are the key properties of 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone?
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone has a molecular weight of 335.88 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 111112309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).