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

C19H25N3O — CID 82071149

IUPAC1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESNc1ccc(C(O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H25N3O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9,19,23H,10-15,20H2
InChIKeyQKTRDGVZRQXXMZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.51
Rot. Bonds5

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

1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol (PubChem CID 82071149) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
PubChem CID82071149
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
SMILESNc1ccc(C(O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H25N3O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9,19,23H,10-15,20H2
InChIKeyQKTRDGVZRQXXMZ-UHFFFAOYSA-N
XLogP2.51
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
CID 82070868
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide
CID 139880353
N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide;dihydrate;dihydrochloride
CID 139880397
6-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 13064851
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol (CID 82071149) is 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol is Nc1ccc(C(O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol?
The InChIKey is QKTRDGVZRQXXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9,19,23H,10-15,20H2.
What are the key properties of 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol?
1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 82071149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).