2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline

C16H26N2 — CID 115209825

IUPAC2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
SMILESCc1ccc(C(C)C)cc1NCC1CCNCC1
InChIInChI=1S/C16H26N2/c1-12(2)15-5-4-13(3)16(10-15)18-11-14-6-8-17-9-7-14/h4-5,10,12,14,17-18H,6-9,11H2,1-3H3
InChIKeyJHLNUUYDRYWLSN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.53
Rot. Bonds4

About 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline

2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline (PubChem CID 115209825) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
PubChem CID115209825
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
SMILESCc1ccc(C(C)C)cc1NCC1CCNCC1
InChIInChI=1S/C16H26N2/c1-12(2)15-5-4-13(3)16(10-15)18-11-14-6-8-17-9-7-14/h4-5,10,12,14,17-18H,6-9,11H2,1-3H3
InChIKeyJHLNUUYDRYWLSN-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline 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 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline?
The IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline (CID 115209825) is 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline?
The canonical SMILES for 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline is Cc1ccc(C(C)C)cc1NCC1CCNCC1.
What is the InChIKey of 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline?
The InChIKey is JHLNUUYDRYWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15-5-4-13(3)16(10-15)18-11-14-6-8-17-9-7-14/h4-5,10,12,14,17-18H,6-9,11H2,1-3H3.
What are the key properties of 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline?
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline is sourced from PubChem (CID 115209825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).