(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone

C14H18ClNO3 — CID 55183156

IUPAC(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Cl)CC2)c(OC)c1
InChIInChI=1S/C14H18ClNO3/c1-18-11-3-4-12(13(9-11)19-2)14(17)16-7-5-10(15)6-8-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyFFICCRLMAYJQHI-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.55
Rot. Bonds3

About (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone

(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 55183156) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
PubChem CID55183156
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Cl)CC2)c(OC)c1
InChIInChI=1S/C14H18ClNO3/c1-18-11-3-4-12(13(9-11)19-2)14(17)16-7-5-10(15)6-8-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyFFICCRLMAYJQHI-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
(2,4-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999763
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone (CID 55183156) is (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(Cl)CC2)c(OC)c1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is FFICCRLMAYJQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-18-11-3-4-12(13(9-11)19-2)14(17)16-7-5-10(15)6-8-16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone?
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 283.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 55183156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).