2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine

C15H22N2O — CID 95841777

IUPAC2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
SMILESc1ccc([C@H]2CCCN(C3CCOCC3)C2)nc1
InChIInChI=1S/C15H22N2O/c1-2-8-16-15(5-1)13-4-3-9-17(12-13)14-6-10-18-11-7-14/h1-2,5,8,13-14H,3-4,6-7,9-12H2/t13-/m0/s1
InChIKeyAYRWFNVHGWTQKB-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.44
Rot. Bonds2

About 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine

2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine (PubChem CID 95841777) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
PubChem CID95841777
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
SMILESc1ccc([C@H]2CCCN(C3CCOCC3)C2)nc1
InChIInChI=1S/C15H22N2O/c1-2-8-16-15(5-1)13-4-3-9-17(12-13)14-6-10-18-11-7-14/h1-2,5,8,13-14H,3-4,6-7,9-12H2/t13-/m0/s1
InChIKeyAYRWFNVHGWTQKB-ZDUSSCGKSA-N
XLogP2.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
CID 110269356
2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 110249875
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine
CID 70717623
3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
CID 53192103
6-[1-(oxan-4-yl)piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110093923
N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
CID 124998034
3-bromo-5-[1-(oxan-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067161
2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97253149
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 124641598
2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
CID 73440171

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine?
The IUPAC name of 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine (CID 95841777) is 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine is c1ccc([C@H]2CCCN(C3CCOCC3)C2)nc1.
What is the InChIKey of 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine?
The InChIKey is AYRWFNVHGWTQKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-8-16-15(5-1)13-4-3-9-17(12-13)14-6-10-18-11-7-14/h1-2,5,8,13-14H,3-4,6-7,9-12H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine?
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine has a molecular weight of 246.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95841777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).