2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol

C19H32N2O — CID 124726124

IUPAC2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](CCN1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1
InChIInChI=1S/C19H32N2O/c1-16(18-8-6-5-7-9-18)10-11-20-12-13-21(17(2)14-20)15-19(3,4)22/h5-9,16-17,22H,10-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyBQORAQGVSHAFDX-IRXDYDNUSA-N
MW304.48 g/mol
LogP2.96
Rot. Bonds6

About 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol

2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol (PubChem CID 124726124) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol
PubChem CID124726124
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](CCN1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1
InChIInChI=1S/C19H32N2O/c1-16(18-8-6-5-7-9-18)10-11-20-12-13-21(17(2)14-20)15-19(3,4)22/h5-9,16-17,22H,10-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyBQORAQGVSHAFDX-IRXDYDNUSA-N
XLogP2.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol 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-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol (CID 124726124) is 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol is C[C@@H](CCN1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1.
What is the InChIKey of 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol?
The InChIKey is BQORAQGVSHAFDX-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H32N2O/c1-16(18-8-6-5-7-9-18)10-11-20-12-13-21(17(2)14-20)15-19(3,4)22/h5-9,16-17,22H,10-15H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol has a molecular weight of 304.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-2-methyl-4-[(3S)-3-phenylbutyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124726124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).