[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C14H19ClN2O — CID 106838767

IUPAC[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(C)Cl)CC2)n1
InChIInChI=1S/C14H19ClN2O/c1-10-4-3-5-13(16-10)14(18)17-8-6-12(7-9-17)11(2)15/h3-5,11-12H,6-9H2,1-2H3
InChIKeyOJLMQMYFAAYAGJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.87
Rot. Bonds2

About [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 106838767) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID106838767
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(C)Cl)CC2)n1
InChIInChI=1S/C14H19ClN2O/c1-10-4-3-5-13(16-10)14(18)17-8-6-12(7-9-17)11(2)15/h3-5,11-12H,6-9H2,1-2H3
InChIKeyOJLMQMYFAAYAGJ-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-chloroethyl)piperidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269696
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
(2-bromo-3-methylphenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 107984073

Frequently Asked Questions

What is the IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 106838767) is [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC(C(C)Cl)CC2)n1.
What is the InChIKey of [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is OJLMQMYFAAYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-3-5-13(16-10)14(18)17-8-6-12(7-9-17)11(2)15/h3-5,11-12H,6-9H2,1-2H3.
What are the key properties of [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 106838767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).