1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol

C21H28N2O — CID 22449936

IUPAC1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESCC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15,22H2,1H3
InChIKeyJYSPUXVXLLZVOP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol

1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol (PubChem CID 22449936) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol
PubChem CID22449936
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESCC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15,22H2,1H3
InChIKeyJYSPUXVXLLZVOP-UHFFFAOYSA-N
XLogP3.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.65
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 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol (CID 22449936) is 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol is CC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol?
The InChIKey is JYSPUXVXLLZVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15,22H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol?
1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol has a molecular weight of 324.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-benzylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 22449936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).