2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine

C19H32N2 — CID 79413405

IUPAC2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)c2ccccc2C)C(C)C1C
InChIInChI=1S/C19H32N2/c1-6-12-20-19-11-13-21(16(4)15(19)3)17(5)18-10-8-7-9-14(18)2/h7-10,15-17,19-20H,6,11-13H2,1-5H3
InChIKeyYQTWGHCQVBAAST-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.15
Rot. Bonds5

About 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine

2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine (PubChem CID 79413405) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
PubChem CID79413405
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)c2ccccc2C)C(C)C1C
InChIInChI=1S/C19H32N2/c1-6-12-20-19-11-13-21(16(4)15(19)3)17(5)18-10-8-7-9-14(18)2/h7-10,15-17,19-20H,6,11-13H2,1-5H3
InChIKeyYQTWGHCQVBAAST-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine (CID 79413405) is 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine is CCCNC1CCN(C(C)c2ccccc2C)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine?
The InChIKey is YQTWGHCQVBAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-12-20-19-11-13-21(16(4)15(19)3)17(5)18-10-8-7-9-14(18)2/h7-10,15-17,19-20H,6,11-13H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine?
2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 79413405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).