5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine

C20H26N2 — CID 66684948

IUPAC5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine
SMILESC1=CC(C2CC2)=CN([C@H](CN2CCCC2)c2ccccc2)C1
InChIInChI=1S/C20H26N2/c1-2-7-18(8-3-1)20(16-21-12-4-5-13-21)22-14-6-9-19(15-22)17-10-11-17/h1-3,6-9,15,17,20H,4-5,10-14,16H2/t20-/m1/s1
InChIKeyGSWBDIJRPHQIPA-HXUWFJFHSA-N
MW294.44 g/mol
LogP3.99
Rot. Bonds5

About 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine

5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine (PubChem CID 66684948) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine
PubChem CID66684948
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine
SMILESC1=CC(C2CC2)=CN([C@H](CN2CCCC2)c2ccccc2)C1
InChIInChI=1S/C20H26N2/c1-2-7-18(8-3-1)20(16-21-12-4-5-13-21)22-14-6-9-19(15-22)17-10-11-17/h1-3,6-9,15,17,20H,4-5,10-14,16H2/t20-/m1/s1
InChIKeyGSWBDIJRPHQIPA-HXUWFJFHSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole
CID 66685201
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CID 129212105
1-(2-benzhydrylsulfinylethyl)piperidine
CID 19020215
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
1-[(1R)-1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenyl-2H-pyridine
CID 141347591
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
1-[(2R)-3-ethyl-2-phenylpentyl]pyrrolidine
CID 71001431
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
N-[[4-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-5,6-dihydro-2H-azepin-6-yl]phenyl]methyl]methanesulfonamide
CID 22573219
1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 54473974

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine?
The IUPAC name of 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine (CID 66684948) is 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine.
What is the SMILES notation for 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine?
The canonical SMILES for 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine is C1=CC(C2CC2)=CN([C@H](CN2CCCC2)c2ccccc2)C1.
What is the InChIKey of 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine?
The InChIKey is GSWBDIJRPHQIPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-7-18(8-3-1)20(16-21-12-4-5-13-21)22-14-6-9-19(15-22)17-10-11-17/h1-3,6-9,15,17,20H,4-5,10-14,16H2/t20-/m1/s1.
What are the key properties of 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine?
5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine has a molecular weight of 294.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine is sourced from PubChem (CID 66684948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).