2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone

C14H18ClNO2 — CID 55048012

IUPAC2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(Cl)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-18-12-7-5-11(6-8-12)13(15)14(17)16-9-3-2-4-10-16/h5-8,13H,2-4,9-10H2,1H3
InChIKeyIIWPTCLCYBVENX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone

2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone (PubChem CID 55048012) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
PubChem CID55048012
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(Cl)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-18-12-7-5-11(6-8-12)13(15)14(17)16-9-3-2-4-10-16/h5-8,13H,2-4,9-10H2,1H3
InChIKeyIIWPTCLCYBVENX-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-chloro-2-(6-methoxy-3-pyridinyl)ethanone
CID 114938447
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
CID 62224274
2-chloro-2-(3-fluoro-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 65101013
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
2-chloro-1-pyrrolidin-1-yl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 62224814
2-chloro-2-(3,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 55047866
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
2-chloro-1-pyrrolidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 62224994
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone (CID 55048012) is 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone is COc1ccc(C(Cl)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone?
The InChIKey is IIWPTCLCYBVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-12-7-5-11(6-8-12)13(15)14(17)16-9-3-2-4-10-16/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone?
2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone has a molecular weight of 267.76 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 55048012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).