(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone

C13H14ClNO — CID 150460912

IUPAC(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
SMILESCc1ccc(C(=O)C2=CNCCC2)cc1Cl
InChIInChI=1S/C13H14ClNO/c1-9-4-5-10(7-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyHPTJXNWFXOMYGB-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.10
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone

(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone (PubChem CID 150460912) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
PubChem CID150460912
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
SMILESCc1ccc(C(=O)C2=CNCCC2)cc1Cl
InChIInChI=1S/C13H14ClNO/c1-9-4-5-10(7-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyHPTJXNWFXOMYGB-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
CID 154179958
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 59278521
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
3-chloro-4-methylbenzamide;ethane
CID 162191867

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone (CID 150460912) is (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone is Cc1ccc(C(=O)C2=CNCCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone?
The InChIKey is HPTJXNWFXOMYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-4-5-10(7-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone?
(3-chloro-4-methylphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone has a molecular weight of 235.71 g/mol, XLogP of 3.10, 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)-(1,2,3,4-tetrahydropyridin-5-yl)methanone is sourced from PubChem (CID 150460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).