1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol

C21H28N2O — CID 82070868

IUPAC1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESNc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c22-20-8-6-19(7-9-20)21(24)12-15-23-13-10-18(11-14-23)16-17-4-2-1-3-5-17/h1-9,18,21,24H,10-16,22H2
InChIKeyKJURFCNOBQFWPJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.65
Rot. Bonds6

About 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol

1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol (PubChem CID 82070868) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
PubChem CID82070868
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESNc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c22-20-8-6-19(7-9-20)21(24)12-15-23-13-10-18(11-14-23)16-17-4-2-1-3-5-17/h1-9,18,21,24H,10-16,22H2
InChIKeyKJURFCNOBQFWPJ-UHFFFAOYSA-N
XLogP3.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 82071149
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
CID 56974173
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol (CID 82070868) is 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol is Nc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol?
The InChIKey is KJURFCNOBQFWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c22-20-8-6-19(7-9-20)21(24)12-15-23-13-10-18(11-14-23)16-17-4-2-1-3-5-17/h1-9,18,21,24H,10-16,22H2.
What are the key properties of 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol?
1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol has a molecular weight of 324.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82070868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).