2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol

C17H26N2O — CID 15925820

IUPAC2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESNc1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C17H26N2O/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12,18H2
InChIKeyQKZZLSKHUZZWJR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.75
Rot. Bonds2

About 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol

2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925820) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925820
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol
SMILESNc1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C17H26N2O/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12,18H2
InChIKeyQKZZLSKHUZZWJR-UHFFFAOYSA-N
XLogP2.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol (CID 15925820) is 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol is Nc1ccc(C2CCN(C3CCCCC3O)CC2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is QKZZLSKHUZZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12,18H2.
What are the key properties of 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).