2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol

C15H24N2O — CID 171304356

IUPAC2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
SMILESCCC(C)[C@H](c1ccccc1O)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-3-12(2)15(17-10-8-16-9-11-17)13-6-4-5-7-14(13)18/h4-7,12,15-16,18H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeySHLQJNFIKUWHEA-WPZCJLIBSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds4

About 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol

2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol (PubChem CID 171304356) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
PubChem CID171304356
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
SMILESCCC(C)[C@H](c1ccccc1O)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-3-12(2)15(17-10-8-16-9-11-17)13-6-4-5-7-14(13)18/h4-7,12,15-16,18H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeySHLQJNFIKUWHEA-WPZCJLIBSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171305124
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171304317
2-chloro-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305294
1-[(1R)-2-methyl-1-(2-nitrophenyl)butyl]piperazine
CID 171304232
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
1-[(1R)-2-methyl-1-(2-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304233
3-methoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305112
1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304461

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol (CID 171304356) is 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol is CCC(C)[C@H](c1ccccc1O)N1CCNCC1.
What is the InChIKey of 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol?
The InChIKey is SHLQJNFIKUWHEA-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12(2)15(17-10-8-16-9-11-17)13-6-4-5-7-14(13)18/h4-7,12,15-16,18H,3,8-11H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol?
2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171304356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).