[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone

C18H24ClNO3 — CID 111112247

IUPAC[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
SMILESO=C(N1CCC(C(O)c2ccc(Cl)cc2)CC1)C1(O)CCCC1
InChIInChI=1S/C18H24ClNO3/c19-15-5-3-13(4-6-15)16(21)14-7-11-20(12-8-14)17(22)18(23)9-1-2-10-18/h3-6,14,16,21,23H,1-2,7-12H2
InChIKeyCLLYNXRXDODTAZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.92
Rot. Bonds3

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

[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone (PubChem CID 111112247) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
PubChem CID111112247
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
SMILESO=C(N1CCC(C(O)c2ccc(Cl)cc2)CC1)C1(O)CCCC1
InChIInChI=1S/C18H24ClNO3/c19-15-5-3-13(4-6-15)16(21)14-7-11-20(12-8-14)17(22)18(23)9-1-2-10-18/h3-6,14,16,21,23H,1-2,7-12H2
InChIKeyCLLYNXRXDODTAZ-UHFFFAOYSA-N
XLogP2.92
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
[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
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 111434266
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 111434256
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone (CID 111112247) is [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone is O=C(N1CCC(C(O)c2ccc(Cl)cc2)CC1)C1(O)CCCC1.
What is the InChIKey of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The InChIKey is CLLYNXRXDODTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c19-15-5-3-13(4-6-15)16(21)14-7-11-20(12-8-14)17(22)18(23)9-1-2-10-18/h3-6,14,16,21,23H,1-2,7-12H2.
What are the key properties of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone has a molecular weight of 337.85 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 111112247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).