[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol

C14H22N2O — CID 116637315

IUPAC[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCc1ccncc1
InChIInChI=1S/C14H22N2O/c17-12-14-4-2-1-3-10-16(14)11-7-13-5-8-15-9-6-13/h5-6,8-9,14,17H,1-4,7,10-12H2
InChIKeyOOWJFRUZUBLJRV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds4

About [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol

[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol (PubChem CID 116637315) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
PubChem CID116637315
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCc1ccncc1
InChIInChI=1S/C14H22N2O/c17-12-14-4-2-1-3-10-16(14)11-7-13-5-8-15-9-6-13/h5-6,8-9,14,17H,1-4,7,10-12H2
InChIKeyOOWJFRUZUBLJRV-UHFFFAOYSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298
N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
CID 77041964
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 63853034
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 167946409

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol?
The IUPAC name of [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol (CID 116637315) is [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol is OCC1CCCCCN1CCc1ccncc1.
What is the InChIKey of [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol?
The InChIKey is OOWJFRUZUBLJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-12-14-4-2-1-3-10-16(14)11-7-13-5-8-15-9-6-13/h5-6,8-9,14,17H,1-4,7,10-12H2.
What are the key properties of [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol?
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol is sourced from PubChem (CID 116637315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).