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

C16H24N2O — CID 124996158

IUPAC4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
SMILESc1cc(CC[C@H]2CCCN2C2CCOCC2)ccn1
InChIInChI=1S/C16H24N2O/c1-2-15(4-3-14-5-9-17-10-6-14)18(11-1)16-7-12-19-13-8-16/h5-6,9-10,15-16H,1-4,7-8,11-13H2/t15-/m1/s1
InChIKeyQREDPSHDLTUJJH-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.66
Rot. Bonds4

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

4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine (PubChem CID 124996158) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
PubChem CID124996158
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
SMILESc1cc(CC[C@H]2CCCN2C2CCOCC2)ccn1
InChIInChI=1S/C16H24N2O/c1-2-15(4-3-14-5-9-17-10-6-14)18(11-1)16-7-12-19-13-8-16/h5-6,9-10,15-16H,1-4,7-8,11-13H2/t15-/m1/s1
InChIKeyQREDPSHDLTUJJH-OAHLLOKOSA-N
XLogP2.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide
CID 10025698
3-(1-Ethyl-2-pyrrolidinyl)pyridine
CID 4658388
4-(Tetrahydropyran-4-YL)-pyridine
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CID 44455920

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine?
The IUPAC name of 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine (CID 124996158) is 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine?
The canonical SMILES for 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine is c1cc(CC[C@H]2CCCN2C2CCOCC2)ccn1.
What is the InChIKey of 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine?
The InChIKey is QREDPSHDLTUJJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(4-3-14-5-9-17-10-6-14)18(11-1)16-7-12-19-13-8-16/h5-6,9-10,15-16H,1-4,7-8,11-13H2/t15-/m1/s1.
What are the key properties of 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine?
4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine has a molecular weight of 260.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 124996158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).