2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine

C18H28N2 — CID 3306139

IUPAC2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine
SMILESCCN1CCCCC1C1NCCC1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-2-20-13-7-6-10-17(20)18-16(11-12-19-18)14-15-8-4-3-5-9-15/h3-5,8-9,16-19H,2,6-7,10-14H2,1H3
InChIKeyQIDXBYGBYWPQNL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine

2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine (PubChem CID 3306139) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine.

Molecular Properties

Compound Name2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine
PubChem CID3306139
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine
SMILESCCN1CCCCC1C1NCCC1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-2-20-13-7-6-10-17(20)18-16(11-12-19-18)14-15-8-4-3-5-9-15/h3-5,8-9,16-19H,2,6-7,10-14H2,1H3
InChIKeyQIDXBYGBYWPQNL-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(3-ethylpyrrolidin-2-yl)piperidine
CID 5243935
3-benzyl-2-ethylpyrrolidine
CID 4543797
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
3-benzyl-4-ethyl-1,4-diazepan-2-one
CID 146122720
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-ethyl-2-phenylazepane
CID 59678181
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(4aR,5S,8aR)-1-benzyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-5-ol
CID 121312890

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine?
The IUPAC name of 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine (CID 3306139) is 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine.
What is the SMILES notation for 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine?
The canonical SMILES for 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine is CCN1CCCCC1C1NCCC1Cc1ccccc1.
What is the InChIKey of 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine?
The InChIKey is QIDXBYGBYWPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20-13-7-6-10-17(20)18-16(11-12-19-18)14-15-8-4-3-5-9-15/h3-5,8-9,16-19H,2,6-7,10-14H2,1H3.
What are the key properties of 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine?
2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylpyrrolidin-2-yl)-1-ethylpiperidine is sourced from PubChem (CID 3306139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).