[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone

C14H17Cl2NO — CID 63394055

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCCC1CCCl
InChIInChI=1S/C14H17Cl2NO/c15-9-8-11-5-3-4-10-17(11)14(18)12-6-1-2-7-13(12)16/h1-2,6-7,11H,3-5,8-10H2
InChIKeyUNLHTZGOOVSPIQ-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.96
Rot. Bonds3

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

[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 63394055) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
PubChem CID63394055
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCCC1CCCl
InChIInChI=1S/C14H17Cl2NO/c15-9-8-11-5-3-4-10-17(11)14(18)12-6-1-2-7-13(12)16/h1-2,6-7,11H,3-5,8-10H2
InChIKeyUNLHTZGOOVSPIQ-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.96
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-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
[2-(2-chloroethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79205658
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(2-chloroethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 63393444
[2-(chloromethyl)azepan-1-yl]-(2,3-dichlorophenyl)methanone
CID 116639124
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
[2-(2-chloroethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 55188177
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[2-(2-chloroethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 114021795

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone (CID 63394055) is [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1CCCCC1CCCl.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is UNLHTZGOOVSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-9-8-11-5-3-4-10-17(11)14(18)12-6-1-2-7-13(12)16/h1-2,6-7,11H,3-5,8-10H2.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 286.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 63394055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).