(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone

C14H18ClNO — CID 107561270

IUPAC(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCc1ccc(C(=O)C2(C)CCNCC2)cc1Cl
InChIInChI=1S/C14H18ClNO/c1-10-3-4-11(9-12(10)15)13(17)14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeySLCMQXXYCSNGLQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.22
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone

(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 107561270) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
PubChem CID107561270
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCc1ccc(C(=O)C2(C)CCNCC2)cc1Cl
InChIInChI=1S/C14H18ClNO/c1-10-3-4-11(9-12(10)15)13(17)14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeySLCMQXXYCSNGLQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567488
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
CID 116567636
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
CID 107561390
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 86614571
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
CID 150460912
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696153

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone (CID 107561270) is (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone is Cc1ccc(C(=O)C2(C)CCNCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is SLCMQXXYCSNGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-3-4-11(9-12(10)15)13(17)14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone?
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 251.76 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 107561270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).