(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone

C13H16ClNO2 — CID 164894070

IUPAC(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1ccc(Cl)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C13H16ClNO2/c1-17-10-5-6-12(14)11(9-10)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyZALAZNAGOXBZIQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.97
Rot. Bonds2

About (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone

(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 164894070) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
PubChem CID164894070
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1ccc(Cl)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C13H16ClNO2/c1-17-10-5-6-12(14)11(9-10)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyZALAZNAGOXBZIQ-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 108543875
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 108545116
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone (CID 164894070) is (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone is COc1ccc(Cl)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is ZALAZNAGOXBZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-10-5-6-12(14)11(9-10)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone?
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 253.73 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 164894070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).