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

C14H21ClN2 — CID 79396925

IUPAC1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine
SMILESCc1ccc(Cl)cc1N1CCC(N)C(C)C1C
InChIInChI=1S/C14H21ClN2/c1-9-4-5-12(15)8-14(9)17-7-6-13(16)10(2)11(17)3/h4-5,8,10-11,13H,6-7,16H2,1-3H3
InChIKeyPGYSRQXIMSOEPX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.21
Rot. Bonds1

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

1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79396925) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine
PubChem CID79396925
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine
SMILESCc1ccc(Cl)cc1N1CCC(N)C(C)C1C
InChIInChI=1S/C14H21ClN2/c1-9-4-5-12(15)8-14(9)17-7-6-13(16)10(2)11(17)3/h4-5,8,10-11,13H,6-7,16H2,1-3H3
InChIKeyPGYSRQXIMSOEPX-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine
CID 79398158
2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 79406259
1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
CID 79396789
1-(2-bromo-5-iodophenyl)-2,3-dimethylpiperidin-4-amine
CID 114260487
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532
2-(5-chloro-2-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939589
8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-(2,4-dichlorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397447
1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine
CID 79397869
1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
CID 117009821
1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
CID 146272450

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine (CID 79396925) is 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine is Cc1ccc(Cl)cc1N1CCC(N)C(C)C1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is PGYSRQXIMSOEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-4-5-12(15)8-14(9)17-7-6-13(16)10(2)11(17)3/h4-5,8,10-11,13H,6-7,16H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine?
1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79396925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).