(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone

C14H18ClNO2 — CID 95970604

IUPAC(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-2-18-13-7-6-11(10-12(13)15)14(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyZJEGJZOQMYZMRF-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.36
Rot. Bonds3

About (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone

(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 95970604) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
PubChem CID95970604
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-2-18-13-7-6-11(10-12(13)15)14(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyZJEGJZOQMYZMRF-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(3-chloro-4-ethoxybenzoyl)piperazine-1-carboxylate
CID 110803291
(3-chloro-4-ethoxyphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137338195
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
(3-chloro-4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804844
(4-butoxy-3-chloro-5-ethoxyphenyl)-piperidin-1-ylmethanone
CID 112759341
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
1,4-diazepan-1-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 119415903
azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
CID 78805812

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone (CID 95970604) is (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone is CCOc1ccc(C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is ZJEGJZOQMYZMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-18-13-7-6-11(10-12(13)15)14(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone?
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 267.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 95970604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).