4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol

C18H28N2O — CID 3065070

IUPAC4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN(Cc2cc(C3CCCCC3)ccc2O)CC1
InChIInChI=1S/C18H28N2O/c1-19-9-11-20(12-10-19)14-17-13-16(7-8-18(17)21)15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3
InChIKeyBGGGSMHLEZPTKX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds3

About 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol

4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 3065070) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID3065070
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN(Cc2cc(C3CCCCC3)ccc2O)CC1
InChIInChI=1S/C18H28N2O/c1-19-9-11-20(12-10-19)14-17-13-16(7-8-18(17)21)15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3
InChIKeyBGGGSMHLEZPTKX-UHFFFAOYSA-N
XLogP3.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 46840105
4-cyclopropyl-2-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenol
CID 175933225
2-[[4-(4-cyclopentylphenyl)piperazin-1-yl]methyl]-4-(4-methylpiperazin-1-yl)benzonitrile
CID 135144393
4-cyclopropyl-2-ethylphenol
CID 22039039
4-cyclodecyl-2-methylphenol
CID 153407623
2-[(4-methylpiperazin-1-yl)methyl]-4-pyrimidin-2-ylphenol
CID 135882148
bis[2-cyclopentyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 73011693
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenol;bis(2,2,2-trifluoroacetic acid)
CID 46840136
4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 773084
2,5-di(cyclononyl)phenol
CID 57426125
4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1098143
1-(4-cyclohexylphenyl)-4-methylpiperazine
CID 142618423

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol (CID 3065070) is 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol is CN1CCN(Cc2cc(C3CCCCC3)ccc2O)CC1.
What is the InChIKey of 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is BGGGSMHLEZPTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-9-11-20(12-10-19)14-17-13-16(7-8-18(17)21)15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3.
What are the key properties of 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol?
4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 288.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 3065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).