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

C22H36N2O2 — CID 59444112

IUPAC2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol
SMILESCCCCOC1CCC(C)(N2CCC(Nc3ccccc3O)CC2)CC1
InChIInChI=1S/C22H36N2O2/c1-3-4-17-26-19-9-13-22(2,14-10-19)24-15-11-18(12-16-24)23-20-7-5-6-8-21(20)25/h5-8,18-19,23,25H,3-4,9-17H2,1-2H3
InChIKeySWGLDNWIYCTQBX-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.79
Rot. Bonds7

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

2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol (PubChem CID 59444112) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol
PubChem CID59444112
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol
SMILESCCCCOC1CCC(C)(N2CCC(Nc3ccccc3O)CC2)CC1
InChIInChI=1S/C22H36N2O2/c1-3-4-17-26-19-9-13-22(2,14-10-19)24-15-11-18(12-16-24)23-20-7-5-6-8-21(20)25/h5-8,18-19,23,25H,3-4,9-17H2,1-2H3
InChIKeySWGLDNWIYCTQBX-UHFFFAOYSA-N
XLogP4.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The IUPAC name of 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol (CID 59444112) is 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol.
What is the SMILES notation for 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The canonical SMILES for 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol is CCCCOC1CCC(C)(N2CCC(Nc3ccccc3O)CC2)CC1.
What is the InChIKey of 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The InChIKey is SWGLDNWIYCTQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-3-4-17-26-19-9-13-22(2,14-10-19)24-15-11-18(12-16-24)23-20-7-5-6-8-21(20)25/h5-8,18-19,23,25H,3-4,9-17H2,1-2H3.
What are the key properties of 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol has a molecular weight of 360.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-butoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol is sourced from PubChem (CID 59444112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).