2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol

C16H26N2O — CID 171281836

IUPAC2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
SMILESCc1cccc([C@H](CC(C)C)N2CCNCC2)c1O
InChIInChI=1S/C16H26N2O/c1-12(2)11-15(18-9-7-17-8-10-18)14-6-4-5-13(3)16(14)19/h4-6,12,15,17,19H,7-11H2,1-3H3/t15-/m0/s1
InChIKeyKEHIUVRZHFTLQU-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds4

About 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol

2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol (PubChem CID 171281836) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
PubChem CID171281836
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
SMILESCc1cccc([C@H](CC(C)C)N2CCNCC2)c1O
InChIInChI=1S/C16H26N2O/c1-12(2)11-15(18-9-7-17-8-10-18)14-6-4-5-13(3)16(14)19/h4-6,12,15,17,19H,7-11H2,1-3H3/t15-/m0/s1
InChIKeyKEHIUVRZHFTLQU-HNNXBMFYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[(1S)-3-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

2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171274668
2-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171294452
2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309515
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-6-(trifluoromethoxy)phenol;dihydrochloride
CID 171299347
2,3-difluoro-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171297587
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
3-methyl-6-[(1R)-3-methyl-1-piperazin-1-ylbutyl]-2-nitrophenol
CID 171301666
1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
CID 171294063
1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171285088
2-bromo-3-chloro-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171298308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol (CID 171281836) is 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol is Cc1cccc([C@H](CC(C)C)N2CCNCC2)c1O.
What is the InChIKey of 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol?
The InChIKey is KEHIUVRZHFTLQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)11-15(18-9-7-17-8-10-18)14-6-4-5-13(3)16(14)19/h4-6,12,15,17,19H,7-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol?
2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171281836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).