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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Related Compounds

2-(difluoromethyl)-6-phenylpyridine
CID 151332992
N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
CID 99952412
2-piperidin-1-yl-5-(6-propan-2-yl-2-pyridinyl)pyrimidine
CID 167582493
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine
CID 11231963
[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate
CID 167378570
azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone
CID 125439003
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
1-[bis(6-phenyl-2-pyridinyl)methyl]-3,5-ditert-butylpyridin-1-ium
CID 167352069
5-[1-(6-phenyl-2-pyridinyl)ethyl]-1H-pyrazol-3-amine
CID 118100575
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
(3-methyl-1,2-oxazol-4-yl)-(6-phenyl-2-pyridinyl)methanol
CID 141297248

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).