N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine

C17H28N2 — CID 79408012

IUPACN,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine
SMILESCCCc1ccccc1N1CCC(NC)C(C)C1C
InChIInChI=1S/C17H28N2/c1-5-8-15-9-6-7-10-17(15)19-12-11-16(18-4)13(2)14(19)3/h6-7,9-10,13-14,16,18H,5,8,11-12H2,1-4H3
InChIKeyKXGYMFHRQCPXGO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds4

About N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine

N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine (PubChem CID 79408012) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine
PubChem CID79408012
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine
SMILESCCCc1ccccc1N1CCC(NC)C(C)C1C
InChIInChI=1S/C17H28N2/c1-5-8-15-9-6-7-10-17(15)19-12-11-16(18-4)13(2)14(19)3/h6-7,9-10,13-14,16,18H,5,8,11-12H2,1-4H3
InChIKeyKXGYMFHRQCPXGO-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine?
The IUPAC name of N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine (CID 79408012) is N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine.
What is the SMILES notation for N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine?
The canonical SMILES for N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine is CCCc1ccccc1N1CCC(NC)C(C)C1C.
What is the InChIKey of N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine?
The InChIKey is KXGYMFHRQCPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-8-15-9-6-7-10-17(15)19-12-11-16(18-4)13(2)14(19)3/h6-7,9-10,13-14,16,18H,5,8,11-12H2,1-4H3.
What are the key properties of N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine?
N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine is sourced from PubChem (CID 79408012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).