2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine

C17H20N2 — CID 11196080

IUPAC2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine
SMILESC[C@@H](c1cccc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C17H20N2/c1-14(19-12-5-6-13-19)16-10-7-11-17(18-16)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3/t14-/m0/s1
InChIKeyCBIUZVARVRWNLP-AWEZNQCLSA-N
MW252.36 g/mol
LogP3.91
Rot. Bonds3

About 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine

2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine (PubChem CID 11196080) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine.

Molecular Properties

Compound Name2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine
PubChem CID11196080
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine
SMILESC[C@@H](c1cccc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C17H20N2/c1-14(19-12-5-6-13-19)16-10-7-11-17(18-16)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3/t14-/m0/s1
InChIKeyCBIUZVARVRWNLP-AWEZNQCLSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine?
The IUPAC name of 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine (CID 11196080) is 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine.
What is the SMILES notation for 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine?
The canonical SMILES for 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine is C[C@@H](c1cccc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine?
The InChIKey is CBIUZVARVRWNLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2/c1-14(19-12-5-6-13-19)16-10-7-11-17(18-16)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine?
2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine is sourced from PubChem (CID 11196080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).