2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol

C18H28N2O — CID 70862184

IUPAC2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol
SMILESCC1(N2CCC(Nc3ccccc3O)CC2)CCCCC1
InChIInChI=1S/C18H28N2O/c1-18(11-5-2-6-12-18)20-13-9-15(10-14-20)19-16-7-3-4-8-17(16)21/h3-4,7-8,15,19,21H,2,5-6,9-14H2,1H3
InChIKeyGKMRRRHXMHCTCS-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.99
Rot. Bonds3

About 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol

2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol (PubChem CID 70862184) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol
PubChem CID70862184
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol
SMILESCC1(N2CCC(Nc3ccccc3O)CC2)CCCCC1
InChIInChI=1S/C18H28N2O/c1-18(11-5-2-6-12-18)20-13-9-15(10-14-20)19-16-7-3-4-8-17(16)21/h3-4,7-8,15,19,21H,2,5-6,9-14H2,1H3
InChIKeyGKMRRRHXMHCTCS-UHFFFAOYSA-N
XLogP3.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The IUPAC name of 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol (CID 70862184) is 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol.
What is the SMILES notation for 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The canonical SMILES for 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol is CC1(N2CCC(Nc3ccccc3O)CC2)CCCCC1.
What is the InChIKey of 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The InChIKey is GKMRRRHXMHCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(11-5-2-6-12-18)20-13-9-15(10-14-20)19-16-7-3-4-8-17(16)21/h3-4,7-8,15,19,21H,2,5-6,9-14H2,1H3.
What are the key properties of 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol has a molecular weight of 288.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol is sourced from PubChem (CID 70862184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).