(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone

C15H20ClNO — CID 114683018

IUPAC(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(Cl)C(C)C2)c1
InChIInChI=1S/C15H20ClNO/c1-10-6-11(2)8-13(7-10)15(18)17-5-4-14(16)12(3)9-17/h6-8,12,14H,4-5,9H2,1-3H3
InChIKeyIHKFBMZMYBWAAH-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.39
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone

(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone (PubChem CID 114683018) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
PubChem CID114683018
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(Cl)C(C)C2)c1
InChIInChI=1S/C15H20ClNO/c1-10-6-11(2)8-13(7-10)15(18)17-5-4-14(16)12(3)9-17/h6-8,12,14H,4-5,9H2,1-3H3
InChIKeyIHKFBMZMYBWAAH-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.39
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-chloro-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114682944
(3-chloro-4-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 102961602
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114683510
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3,5-dimethylphenyl)methanone
CID 81482499
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 112811843
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone (CID 114683018) is (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCC(Cl)C(C)C2)c1.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone?
The InChIKey is IHKFBMZMYBWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-6-11(2)8-13(7-10)15(18)17-5-4-14(16)12(3)9-17/h6-8,12,14H,4-5,9H2,1-3H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone?
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone has a molecular weight of 265.78 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 114683018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).