1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol

C20H27N3O — CID 111478246

IUPAC1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2cccc(-c3ccncc3)c2)CC1
InChIInChI=1S/C20H27N3O/c24-20-7-13-23(14-8-20)12-2-9-22-16-17-3-1-4-19(15-17)18-5-10-21-11-6-18/h1,3-6,10-11,15,20,22,24H,2,7-9,12-14,16H2
InChIKeyWMJUGCYPMJNUCH-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.68
Rot. Bonds7

About 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol

1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol (PubChem CID 111478246) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
PubChem CID111478246
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2cccc(-c3ccncc3)c2)CC1
InChIInChI=1S/C20H27N3O/c24-20-7-13-23(14-8-20)12-2-9-22-16-17-3-1-4-19(15-17)18-5-10-21-11-6-18/h1,3-6,10-11,15,20,22,24H,2,7-9,12-14,16H2
InChIKeyWMJUGCYPMJNUCH-UHFFFAOYSA-N
XLogP2.68
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol
CID 111466454
1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
CID 111423505
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
1-[3-[(4-chloro-3-nitrophenyl)methylamino]propyl]piperidin-4-ol
CID 110929379
1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol
CID 110906485
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol (CID 111478246) is 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol is OC1CCN(CCCNCc2cccc(-c3ccncc3)c2)CC1.
What is the InChIKey of 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol?
The InChIKey is WMJUGCYPMJNUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20-7-13-23(14-8-20)12-2-9-22-16-17-3-1-4-19(15-17)18-5-10-21-11-6-18/h1,3-6,10-11,15,20,22,24H,2,7-9,12-14,16H2.
What are the key properties of 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol?
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol has a molecular weight of 325.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 111478246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).