[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone

C13H15Cl2NO — CID 63392881

IUPAC[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCC(CCl)C1
InChIInChI=1S/C13H15Cl2NO/c14-8-10-4-3-7-16(9-10)13(17)11-5-1-2-6-12(11)15/h1-2,5-6,10H,3-4,7-9H2
InChIKeyUMDYNYITDWSDPO-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.43
Rot. Bonds2

About [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone

[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 63392881) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
PubChem CID63392881
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCC(CCl)C1
InChIInChI=1S/C13H15Cl2NO/c14-8-10-4-3-7-16(9-10)13(17)11-5-1-2-6-12(11)15/h1-2,5-6,10H,3-4,7-9H2
InChIKeyUMDYNYITDWSDPO-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.43
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

(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-chloro-2-methylphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 107100020
(2-bromo-3-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 107983905
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone (CID 63392881) is [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1CCCC(CCl)C1.
What is the InChIKey of [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is UMDYNYITDWSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-8-10-4-3-7-16(9-10)13(17)11-5-1-2-6-12(11)15/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 272.17 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 63392881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).