1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol

C16H26N2O — CID 82065379

IUPAC1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)CN(CCC(O)c2ccc(N)cc2)C1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)11-18(10-12)8-7-16(19)14-3-5-15(17)6-4-14/h3-6,12-13,16,19H,7-11,17H2,1-2H3
InChIKeyQUSURMDYKNCUBL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol

1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol (PubChem CID 82065379) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
PubChem CID82065379
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)CN(CCC(O)c2ccc(N)cc2)C1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)11-18(10-12)8-7-16(19)14-3-5-15(17)6-4-14/h3-6,12-13,16,19H,7-11,17H2,1-2H3
InChIKeyQUSURMDYKNCUBL-UHFFFAOYSA-N
XLogP2.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
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-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 55099186
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
CID 82070868
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 63470560
1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 82071149
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol (CID 82065379) is 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol is CC1CC(C)CN(CCC(O)c2ccc(N)cc2)C1.
What is the InChIKey of 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is QUSURMDYKNCUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(2)11-18(10-12)8-7-16(19)14-3-5-15(17)6-4-14/h3-6,12-13,16,19H,7-11,17H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82065379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).