1-(4-cycloheptyloxyphenyl)piperidin-4-amine

C18H28N2O — CID 82925702

IUPAC1-(4-cycloheptyloxyphenyl)piperidin-4-amine
SMILESNC1CCN(c2ccc(OC3CCCCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O/c19-15-11-13-20(14-12-15)16-7-9-18(10-8-16)21-17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-14,19H2
InChIKeyCVZXMOSKIZNPDT-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-cycloheptyloxyphenyl)piperidin-4-amine

1-(4-cycloheptyloxyphenyl)piperidin-4-amine (PubChem CID 82925702) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(4-cycloheptyloxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-cycloheptyloxyphenyl)piperidin-4-amine
PubChem CID82925702
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(4-cycloheptyloxyphenyl)piperidin-4-amine
SMILESNC1CCN(c2ccc(OC3CCCCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O/c19-15-11-13-20(14-12-15)16-7-9-18(10-8-16)21-17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-14,19H2
InChIKeyCVZXMOSKIZNPDT-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptyloxyphenyl)piperidin-4-amine?
The IUPAC name of 1-(4-cycloheptyloxyphenyl)piperidin-4-amine (CID 82925702) is 1-(4-cycloheptyloxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-cycloheptyloxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-cycloheptyloxyphenyl)piperidin-4-amine is NC1CCN(c2ccc(OC3CCCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cycloheptyloxyphenyl)piperidin-4-amine?
The InChIKey is CVZXMOSKIZNPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-15-11-13-20(14-12-15)16-7-9-18(10-8-16)21-17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-14,19H2.
What are the key properties of 1-(4-cycloheptyloxyphenyl)piperidin-4-amine?
1-(4-cycloheptyloxyphenyl)piperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptyloxyphenyl)piperidin-4-amine is sourced from PubChem (CID 82925702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).