[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone

C14H17Cl2NO — CID 106839026

IUPAC[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESCC(Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2NO/c1-10(15)11-5-7-17(8-6-11)14(18)12-3-2-4-13(16)9-12/h2-4,9-11H,5-8H2,1H3
InChIKeyUMDAUCSSDLJEBZ-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.82
Rot. Bonds2

About [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone

[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 106839026) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID106839026
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESCC(Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2NO/c1-10(15)11-5-7-17(8-6-11)14(18)12-3-2-4-13(16)9-12/h2-4,9-11H,5-8H2,1H3
InChIKeyUMDAUCSSDLJEBZ-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
[4-(1-chloroethyl)piperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729122
[4-(1-chloroethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 106838833
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743763
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857

Frequently Asked Questions

What is the IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone (CID 106839026) is [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone is CC(Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is UMDAUCSSDLJEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-10(15)11-5-7-17(8-6-11)14(18)12-3-2-4-13(16)9-12/h2-4,9-11H,5-8H2,1H3.
What are the key properties of [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone?
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 286.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 106839026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).