[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone

C16H20ClNO2 — CID 111112276

IUPAC[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO2/c17-14-5-3-11(4-6-14)15(19)12-7-9-18(10-8-12)16(20)13-1-2-13/h3-6,12-13,15,19H,1-2,7-10H2
InChIKeyXSQINDRSRBNDBT-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.02
Rot. Bonds3

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

[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 111112276) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID111112276
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO2/c17-14-5-3-11(4-6-14)15(19)12-7-9-18(10-8-12)16(20)13-1-2-13/h3-6,12-13,15,19H,1-2,7-10H2
InChIKeyXSQINDRSRBNDBT-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(thiolan-2-yl)methanone
CID 111477424
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119321794
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
azepan-1-yl-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 46536157
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 111434266
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone (CID 111112276) is [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is XSQINDRSRBNDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-5-3-11(4-6-14)15(19)12-7-9-18(10-8-12)16(20)13-1-2-13/h3-6,12-13,15,19H,1-2,7-10H2.
What are the key properties of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone?
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 293.79 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 111112276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).