[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C15H20ClNO2 — CID 106835706

IUPAC[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-11(18)13-5-7-17(8-6-13)15(19)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,18H,5-8,10H2,1H3
InChIKeyBQSPCPDACVOGAF-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.66
Rot. Bonds3

About [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106835706) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106835706
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-11(18)13-5-7-17(8-6-13)15(19)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,18H,5-8,10H2,1H3
InChIKeyBQSPCPDACVOGAF-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
CID 43333364
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[4-[3-(chloromethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone
CID 60950033
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
[3-(methylsulfonylmethyl)phenyl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627905
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
[3-(chloromethyl)phenyl]-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218306
[3-(chloromethyl)phenyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886997

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106835706) is [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2cccc(CCl)c2)CC1.
What is the InChIKey of [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is BQSPCPDACVOGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(18)13-5-7-17(8-6-13)15(19)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,18H,5-8,10H2,1H3.
What are the key properties of [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 281.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106835706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).