1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol

C22H26N2O — CID 10616737

IUPAC1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol
SMILESNc1ccc(C#CCCN2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O/c23-21-11-9-19(10-12-21)6-4-5-15-24-16-13-22(25,14-17-24)18-20-7-2-1-3-8-20/h1-3,7-12,25H,5,13-18,23H2
InChIKeyISVKCDBNGIPSLZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol

1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol (PubChem CID 10616737) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol
PubChem CID10616737
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol
SMILESNc1ccc(C#CCCN2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O/c23-21-11-9-19(10-12-21)6-4-5-15-24-16-13-22(25,14-17-24)18-20-7-2-1-3-8-20/h1-3,7-12,25H,5,13-18,23H2
InChIKeyISVKCDBNGIPSLZ-UHFFFAOYSA-N
XLogP3.08
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-(4-Benzylpiperidin-1-yl)but-1-ynyl)aniline
CID 10710707
1-[4-(4-Amino-phenyl)-but-3-ynyl]-4-(4-methyl-benzyl)-piperidin-4-ol
CID 10760169
1-[4-(4-Amino-phenyl)-but-3-ynyl]-4-(4-fluoro-benzyl)-piperidin-4-ol
CID 10617994
4-[5-(4-Benzyl-piperidin-1-yl)-pent-1-ynyl]-phenylamine
CID 10640353
4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenylamine
CID 10685959
1-[1-(4-Aminophenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520329
(1-(4-Aminophenethyl)piperidin-4-yl)diphenylmethanol
CID 118322617
1-Piperidinepropanol, alpha-(4'-amino-4-biphenylyl)-, hydrochloride
CID 3039657
2,6-Bis[4-(dimethylamino)phenyl]-3,4,5-trimethylpiperidin-4-ol
CID 3148799
2,6-Bis[4-(dimethylamino)phenyl]-3,5-dimethyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 3148803
4-(4-Amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol
CID 11381559
4-(4-Amino-2-fluorophenyl)-1-benzylpiperidin-4-ol
CID 18005300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol?
The IUPAC name of 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol (CID 10616737) is 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol?
The canonical SMILES for 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol is Nc1ccc(C#CCCN2CCC(O)(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol?
The InChIKey is ISVKCDBNGIPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c23-21-11-9-19(10-12-21)6-4-5-15-24-16-13-22(25,14-17-24)18-20-7-2-1-3-8-20/h1-3,7-12,25H,5,13-18,23H2.
What are the key properties of 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol?
1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol has a molecular weight of 334.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)but-3-ynyl]-4-benzylpiperidin-4-ol is sourced from PubChem (CID 10616737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).