4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol

C16H26N2O — CID 71625219

IUPAC4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol
SMILESC[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO)CN1
InChIInChI=1S/C16H26N2O/c1-14-12-18(13-15-7-3-2-4-8-15)16(11-17-14)9-5-6-10-19/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3/t14-,16-/m1/s1
InChIKeyZXNRHUVFDCSHQA-GDBMZVCRSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds6

About 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol

4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol (PubChem CID 71625219) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol
PubChem CID71625219
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol
SMILESC[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO)CN1
InChIInChI=1S/C16H26N2O/c1-14-12-18(13-15-7-3-2-4-8-15)16(11-17-14)9-5-6-10-19/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3/t14-,16-/m1/s1
InChIKeyZXNRHUVFDCSHQA-GDBMZVCRSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-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 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol?
The IUPAC name of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol (CID 71625219) is 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol.
What is the SMILES notation for 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol?
The canonical SMILES for 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol is C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO)CN1.
What is the InChIKey of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol?
The InChIKey is ZXNRHUVFDCSHQA-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-12-18(13-15-7-3-2-4-8-15)16(11-17-14)9-5-6-10-19/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol?
4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butan-1-ol is sourced from PubChem (CID 71625219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).