1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol

C14H22N2O — CID 102546754

IUPAC1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N2O/c1-2-13(17)12-7-8-14(15-11-12)16-9-5-3-4-6-10-16/h7-8,11,13,17H,2-6,9-10H2,1H3
InChIKeySFYRMPKSQTWHEY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds3

About 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol

1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol (PubChem CID 102546754) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
PubChem CID102546754
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N2O/c1-2-13(17)12-7-8-14(15-11-12)16-9-5-3-4-6-10-16/h7-8,11,13,17H,2-6,9-10H2,1H3
InChIKeySFYRMPKSQTWHEY-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
(1R)-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 124502902
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol
CID 71111995
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
CID 102546786
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-(1-cyclopropylpropyl)-6-piperidin-1-ylpyridin-3-amine
CID 64917341
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol?
The IUPAC name of 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol (CID 102546754) is 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol?
The InChIKey is SFYRMPKSQTWHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-13(17)12-7-8-14(15-11-12)16-9-5-3-4-6-10-16/h7-8,11,13,17H,2-6,9-10H2,1H3.
What are the key properties of 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol?
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 102546754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).