4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol

C19H25N3O — CID 141047343

IUPAC4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol
SMILESNC1CCCN(CCc2cccc(-c3ccccn3)c2)CC1O
InChIInChI=1S/C19H25N3O/c20-17-7-4-11-22(14-19(17)23)12-9-15-5-3-6-16(13-15)18-8-1-2-10-21-18/h1-3,5-6,8,10,13,17,19,23H,4,7,9,11-12,14,20H2
InChIKeyGEKPIARKNUDQAJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol

4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol (PubChem CID 141047343) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol.

Molecular Properties

Compound Name4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol
PubChem CID141047343
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol
SMILESNC1CCCN(CCc2cccc(-c3ccccn3)c2)CC1O
InChIInChI=1S/C19H25N3O/c20-17-7-4-11-22(14-19(17)23)12-9-15-5-3-6-16(13-15)18-8-1-2-10-21-18/h1-3,5-6,8,10,13,17,19,23H,4,7,9,11-12,14,20H2
InChIKeyGEKPIARKNUDQAJ-UHFFFAOYSA-N
XLogP2.08
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-5-[[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]-3-methyl-5-oxopentyl]carbamic acid
CID 69309720
3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 146137457
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
(3aR,5R,6S,7aS)-2-[(3-pyridin-2-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56882860
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 10231812
(2R)-1-methyl-4-[(3-pyridin-2-ylphenyl)methyl]piperazine-2-carboxylic acid
CID 95189473
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol?
The IUPAC name of 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol (CID 141047343) is 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol.
What is the SMILES notation for 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol?
The canonical SMILES for 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol is NC1CCCN(CCc2cccc(-c3ccccn3)c2)CC1O.
What is the InChIKey of 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol?
The InChIKey is GEKPIARKNUDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-17-7-4-11-22(14-19(17)23)12-9-15-5-3-6-16(13-15)18-8-1-2-10-21-18/h1-3,5-6,8,10,13,17,19,23H,4,7,9,11-12,14,20H2.
What are the key properties of 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol?
4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol has a molecular weight of 311.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol is sourced from PubChem (CID 141047343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).