1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol

C14H22N2O2 — CID 114218551

IUPAC1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol
SMILESCCC1CN(c2cc(C(C)O)ccn2)CCCO1
InChIInChI=1S/C14H22N2O2/c1-3-13-10-16(7-4-8-18-13)14-9-12(11(2)17)5-6-15-14/h5-6,9,11,13,17H,3-4,7-8,10H2,1-2H3
InChIKeyZJZDNUSVJHEUFX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol

1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol (PubChem CID 114218551) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol
PubChem CID114218551
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol
SMILESCCC1CN(c2cc(C(C)O)ccn2)CCCO1
InChIInChI=1S/C14H22N2O2/c1-3-13-10-16(7-4-8-18-13)14-9-12(11(2)17)5-6-15-14/h5-6,9,11,13,17H,3-4,7-8,10H2,1-2H3
InChIKeyZJZDNUSVJHEUFX-UHFFFAOYSA-N
XLogP2.14
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]ethanol
CID 107393526
(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
CID 114218474
1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
CID 81103809
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
2-[4-(1-hydroxyethyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862873
(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol
CID 82750432
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
CID 104921402
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
4-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114217515
[4-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol?
The IUPAC name of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol (CID 114218551) is 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol?
The canonical SMILES for 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol is CCC1CN(c2cc(C(C)O)ccn2)CCCO1.
What is the InChIKey of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol?
The InChIKey is ZJZDNUSVJHEUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-13-10-16(7-4-8-18-13)14-9-12(11(2)17)5-6-15-14/h5-6,9,11,13,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol?
1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol is sourced from PubChem (CID 114218551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).