2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine

C17H28N2 — CID 62125335

IUPAC2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)N2CCCC(C)C2C)cc1
InChIInChI=1S/C17H28N2/c1-12-7-9-16(10-8-12)17(18)15(4)19-11-5-6-13(2)14(19)3/h7-10,13-15,17H,5-6,11,18H2,1-4H3
InChIKeyGOURCEWBGCNGKL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.50
Rot. Bonds3

About 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine

2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 62125335) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
PubChem CID62125335
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)N2CCCC(C)C2C)cc1
InChIInChI=1S/C17H28N2/c1-12-7-9-16(10-8-12)17(18)15(4)19-11-5-6-13(2)14(19)3/h7-10,13-15,17H,5-6,11,18H2,1-4H3
InChIKeyGOURCEWBGCNGKL-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine (CID 62125335) is 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)C(C)N2CCCC(C)C2C)cc1.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is GOURCEWBGCNGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-7-9-16(10-8-12)17(18)15(4)19-11-5-6-13(2)14(19)3/h7-10,13-15,17H,5-6,11,18H2,1-4H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62125335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).