(3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine

C14H23N3 — CID 118550566

IUPAC(3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine
SMILESCc1ccccc1CCN1C[C@H](N)C[C@H](N)C1
InChIInChI=1S/C14H23N3/c1-11-4-2-3-5-12(11)6-7-17-9-13(15)8-14(16)10-17/h2-5,13-14H,6-10,15-16H2,1H3/t13-,14+
InChIKeyFZMWEHKBPRKUDU-OKILXGFUSA-N
MW233.36 g/mol
LogP0.90
Rot. Bonds3

About (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine

(3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine (PubChem CID 118550566) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine.

Molecular Properties

Compound Name(3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine
PubChem CID118550566
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine
SMILESCc1ccccc1CCN1C[C@H](N)C[C@H](N)C1
InChIInChI=1S/C14H23N3/c1-11-4-2-3-5-12(11)6-7-17-9-13(15)8-14(16)10-17/h2-5,13-14H,6-10,15-16H2,1H3/t13-,14+
InChIKeyFZMWEHKBPRKUDU-OKILXGFUSA-N
XLogP0.90
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine 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 (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine?
The IUPAC name of (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine (CID 118550566) is (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine.
What is the SMILES notation for (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine?
The canonical SMILES for (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine is Cc1ccccc1CCN1C[C@H](N)C[C@H](N)C1.
What is the InChIKey of (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine?
The InChIKey is FZMWEHKBPRKUDU-OKILXGFUSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-2-3-5-12(11)6-7-17-9-13(15)8-14(16)10-17/h2-5,13-14H,6-10,15-16H2,1H3/t13-,14+.
What are the key properties of (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine?
(3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine has a molecular weight of 233.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[2-(2-methylphenyl)ethyl]piperidine-3,5-diamine is sourced from PubChem (CID 118550566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).