3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine

C17H20N2 — CID 101170650

IUPAC3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
SMILESC[C@@H](c1ccccc1)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C17H20N2/c1-14(15-7-3-2-4-8-15)19-12-6-10-17(19)16-9-5-11-18-13-16/h2-5,7-9,11,13-14,17H,6,10,12H2,1H3/t14-,17+/m0/s1
InChIKeySQQLBCMGSFYFAV-WMLDXEAASA-N
MW252.36 g/mol
LogP3.98
Rot. Bonds3

About 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine

3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine (PubChem CID 101170650) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
PubChem CID101170650
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
SMILESC[C@@H](c1ccccc1)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C17H20N2/c1-14(15-7-3-2-4-8-15)19-12-6-10-17(19)16-9-5-11-18-13-16/h2-5,7-9,11,13-14,17H,6,10,12H2,1H3/t14-,17+/m0/s1
InChIKeySQQLBCMGSFYFAV-WMLDXEAASA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325
4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
CID 61263705
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one
CID 73084017
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine (CID 101170650) is 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine is C[C@@H](c1ccccc1)N1CCC[C@@H]1c1cccnc1.
What is the InChIKey of 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is SQQLBCMGSFYFAV-WMLDXEAASA-N. The full InChI is InChI=1S/C17H20N2/c1-14(15-7-3-2-4-8-15)19-12-6-10-17(19)16-9-5-11-18-13-16/h2-5,7-9,11,13-14,17H,6,10,12H2,1H3/t14-,17+/m0/s1.
What are the key properties of 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine?
3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 101170650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).