1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine

C14H21ClN2 — CID 107636305

IUPAC1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(C)ccc2Cl)CC1C
InChIInChI=1S/C14H21ClN2/c1-10-4-5-12(15)14(8-10)17-7-6-13(16-3)11(2)9-17/h4-5,8,11,13,16H,6-7,9H2,1-3H3
InChIKeyUMQBVUKLWFTUQO-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine

1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine (PubChem CID 107636305) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
PubChem CID107636305
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(C)ccc2Cl)CC1C
InChIInChI=1S/C14H21ClN2/c1-10-4-5-12(15)14(8-10)17-7-6-13(16-3)11(2)9-17/h4-5,8,11,13,16H,6-7,9H2,1-3H3
InChIKeyUMQBVUKLWFTUQO-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975731
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62915942
1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
CID 142618603
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404
1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975148
1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
CID 104727298
1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 103414479
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine
CID 54975690
N,3-dimethyl-1-(1-methylpyrazol-3-yl)piperidin-4-amine
CID 79779493
1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975601

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine (CID 107636305) is 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine is CNC1CCN(c2cc(C)ccc2Cl)CC1C.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine?
The InChIKey is UMQBVUKLWFTUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-4-5-12(15)14(8-10)17-7-6-13(16-3)11(2)9-17/h4-5,8,11,13,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine?
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 107636305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).