3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline

C14H23N3 — CID 166036186

IUPAC3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(N2CCNC[C@H]2C)c1
InChIInChI=1S/C14H23N3/c1-11(2)16-13-5-4-6-14(9-13)17-8-7-15-10-12(17)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3/t12-/m1/s1
InChIKeyLKVFHVCUZTYHGI-GFCCVEGCSA-N
MW233.36 g/mol
LogP2.31
Rot. Bonds3

About 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline

3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline (PubChem CID 166036186) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline
PubChem CID166036186
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(N2CCNC[C@H]2C)c1
InChIInChI=1S/C14H23N3/c1-11(2)16-13-5-4-6-14(9-13)17-8-7-15-10-12(17)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3/t12-/m1/s1
InChIKeyLKVFHVCUZTYHGI-GFCCVEGCSA-N
XLogP2.31
TPSA27.30 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-2-methylpiperazin-1-yl]-N-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 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline?
The IUPAC name of 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline (CID 166036186) is 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline.
What is the SMILES notation for 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline?
The canonical SMILES for 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline is CC(C)Nc1cccc(N2CCNC[C@H]2C)c1.
What is the InChIKey of 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline?
The InChIKey is LKVFHVCUZTYHGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)16-13-5-4-6-14(9-13)17-8-7-15-10-12(17)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline?
3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline has a molecular weight of 233.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperazin-1-yl]-N-propan-2-ylaniline is sourced from PubChem (CID 166036186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).