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

C16H26N2O — CID 171309515

IUPAC2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
SMILESCCCC[C@@H](c1cccc(C)c1O)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-4-8-15(18-11-9-17-10-12-18)14-7-5-6-13(2)16(14)19/h5-7,15,17,19H,3-4,8-12H2,1-2H3/t15-/m0/s1
InChIKeyWDOHOXFMWGRZMB-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds5

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

2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol (PubChem CID 171309515) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
PubChem CID171309515
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol
SMILESCCCC[C@@H](c1cccc(C)c1O)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-4-8-15(18-11-9-17-10-12-18)14-7-5-6-13(2)16(14)19/h5-7,15,17,19H,3-4,8-12H2,1-2H3/t15-/m0/s1
InChIKeyWDOHOXFMWGRZMB-HNNXBMFYSA-N
XLogP2.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
2-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171294452
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
CID 171307626
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171168188
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307332
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
2-methyl-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171281836
2-fluoro-6-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307333
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171287329
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171287330
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol?
The IUPAC name of 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol (CID 171309515) is 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol.
What is the SMILES notation for 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol?
The canonical SMILES for 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol is CCCC[C@@H](c1cccc(C)c1O)N1CCNCC1.
What is the InChIKey of 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol?
The InChIKey is WDOHOXFMWGRZMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-8-15(18-11-9-17-10-12-18)14-7-5-6-13(2)16(14)19/h5-7,15,17,19H,3-4,8-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol?
2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1S)-1-piperazin-1-ylpentyl]phenol is sourced from PubChem (CID 171309515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).