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

C20H32N2O2 — CID 59444074

IUPAC2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol
SMILESCCOC1CCC(C)(N2CCC(Nc3ccccc3O)CC2)CC1
InChIInChI=1S/C20H32N2O2/c1-3-24-17-8-12-20(2,13-9-17)22-14-10-16(11-15-22)21-18-6-4-5-7-19(18)23/h4-7,16-17,21,23H,3,8-15H2,1-2H3
InChIKeyRILJAMJYEZSFPN-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.01
Rot. Bonds5

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

2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol (PubChem CID 59444074) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol
PubChem CID59444074
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol
SMILESCCOC1CCC(C)(N2CCC(Nc3ccccc3O)CC2)CC1
InChIInChI=1S/C20H32N2O2/c1-3-24-17-8-12-20(2,13-9-17)22-14-10-16(11-15-22)21-18-6-4-5-7-19(18)23/h4-7,16-17,21,23H,3,8-15H2,1-2H3
InChIKeyRILJAMJYEZSFPN-UHFFFAOYSA-N
XLogP4.01
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The IUPAC name of 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol (CID 59444074) is 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol.
What is the SMILES notation for 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The canonical SMILES for 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol is CCOC1CCC(C)(N2CCC(Nc3ccccc3O)CC2)CC1.
What is the InChIKey of 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
The InChIKey is RILJAMJYEZSFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-24-17-8-12-20(2,13-9-17)22-14-10-16(11-15-22)21-18-6-4-5-7-19(18)23/h4-7,16-17,21,23H,3,8-15H2,1-2H3.
What are the key properties of 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol?
2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol has a molecular weight of 332.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]phenol is sourced from PubChem (CID 59444074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).