2-[1-(oxan-4-yl)ethyl]pyridine

C12H17NO — CID 171432124

IUPAC2-[1-(oxan-4-yl)ethyl]pyridine
SMILESCC(c1ccccn1)C1CCOCC1
InChIInChI=1S/C12H17NO/c1-10(11-5-8-14-9-6-11)12-4-2-3-7-13-12/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyOMQHXQUAVIMQII-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.61
Rot. Bonds2

About 2-[1-(oxan-4-yl)ethyl]pyridine

2-[1-(oxan-4-yl)ethyl]pyridine (PubChem CID 171432124) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)ethyl]pyridine
PubChem CID171432124
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[1-(oxan-4-yl)ethyl]pyridine
SMILESCC(c1ccccn1)C1CCOCC1
InChIInChI=1S/C12H17NO/c1-10(11-5-8-14-9-6-11)12-4-2-3-7-13-12/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyOMQHXQUAVIMQII-UHFFFAOYSA-N
XLogP2.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
CID 66448560
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
1-(oxolan-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446614
2-[1-chloro-1-(oxolan-3-yl)propan-2-yl]pyridine
CID 66460210
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
CID 66455508
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine
CID 143195164
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)ethyl]pyridine?
The IUPAC name of 2-[1-(oxan-4-yl)ethyl]pyridine (CID 171432124) is 2-[1-(oxan-4-yl)ethyl]pyridine.
What is the SMILES notation for 2-[1-(oxan-4-yl)ethyl]pyridine?
The canonical SMILES for 2-[1-(oxan-4-yl)ethyl]pyridine is CC(c1ccccn1)C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)ethyl]pyridine?
The InChIKey is OMQHXQUAVIMQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(11-5-8-14-9-6-11)12-4-2-3-7-13-12/h2-4,7,10-11H,5-6,8-9H2,1H3.
What are the key properties of 2-[1-(oxan-4-yl)ethyl]pyridine?
2-[1-(oxan-4-yl)ethyl]pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)ethyl]pyridine is sourced from PubChem (CID 171432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).