1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine

C18H28N2O — CID 63214524

IUPAC1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
SMILESCc1cc(N2CCC(N)CC2)ccc1OC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14-13-16(20-11-9-15(19)10-12-20)7-8-18(14)21-17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,19H2,1H3
InChIKeyUSBGYMBKANGSBE-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.63
Rot. Bonds3

About 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine

1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine (PubChem CID 63214524) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
PubChem CID63214524
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
SMILESCc1cc(N2CCC(N)CC2)ccc1OC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14-13-16(20-11-9-15(19)10-12-20)7-8-18(14)21-17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,19H2,1H3
InChIKeyUSBGYMBKANGSBE-UHFFFAOYSA-N
XLogP3.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine (CID 63214524) is 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine is Cc1cc(N2CCC(N)CC2)ccc1OC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine?
The InChIKey is USBGYMBKANGSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-13-16(20-11-9-15(19)10-12-20)7-8-18(14)21-17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,19H2,1H3.
What are the key properties of 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine?
1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 63214524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).