4-(1-benzylpyrrolidin-2-yl)piperidine

C16H24N2 — CID 82385405

IUPAC4-(1-benzylpyrrolidin-2-yl)piperidine
SMILESc1ccc(CN2CCCC2C2CCNCC2)cc1
InChIInChI=1S/C16H24N2/c1-2-5-14(6-3-1)13-18-12-4-7-16(18)15-8-10-17-11-9-15/h1-3,5-6,15-17H,4,7-13H2
InChIKeyOLCFMFDATJAITK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.65
Rot. Bonds3

About 4-(1-benzylpyrrolidin-2-yl)piperidine

4-(1-benzylpyrrolidin-2-yl)piperidine (PubChem CID 82385405) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-2-yl)piperidine
PubChem CID82385405
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(1-benzylpyrrolidin-2-yl)piperidine
SMILESc1ccc(CN2CCCC2C2CCNCC2)cc1
InChIInChI=1S/C16H24N2/c1-2-5-14(6-3-1)13-18-12-4-7-16(18)15-8-10-17-11-9-15/h1-3,5-6,15-17H,4,7-13H2
InChIKeyOLCFMFDATJAITK-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
4-benzyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline;pyrrolidine
CID 144745554
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
N-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-ylidene]hydroxylamine
CID 86739741
1-benzyl-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 169238777
7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline
CID 175660387
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
(4aS,5R,8aS)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;(4aR,5S,8aR)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 161179572
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-2-yl)piperidine?
The IUPAC name of 4-(1-benzylpyrrolidin-2-yl)piperidine (CID 82385405) is 4-(1-benzylpyrrolidin-2-yl)piperidine.
What is the SMILES notation for 4-(1-benzylpyrrolidin-2-yl)piperidine?
The canonical SMILES for 4-(1-benzylpyrrolidin-2-yl)piperidine is c1ccc(CN2CCCC2C2CCNCC2)cc1.
What is the InChIKey of 4-(1-benzylpyrrolidin-2-yl)piperidine?
The InChIKey is OLCFMFDATJAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-5-14(6-3-1)13-18-12-4-7-16(18)15-8-10-17-11-9-15/h1-3,5-6,15-17H,4,7-13H2.
What are the key properties of 4-(1-benzylpyrrolidin-2-yl)piperidine?
4-(1-benzylpyrrolidin-2-yl)piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-2-yl)piperidine is sourced from PubChem (CID 82385405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).