3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine

C17H26N2 — CID 82623664

IUPAC3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
SMILESc1ccc(CN2CCCC2CC2CCCNC2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-15(7-3-1)14-19-11-5-9-17(19)12-16-8-4-10-18-13-16/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyNAYFTWLUJGHXOL-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds4

About 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine

3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine (PubChem CID 82623664) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
PubChem CID82623664
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
SMILESc1ccc(CN2CCCC2CC2CCCNC2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-15(7-3-1)14-19-11-5-9-17(19)12-16-8-4-10-18-13-16/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyNAYFTWLUJGHXOL-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
CID 82601495
1-benzyl-2-(3-phenylprop-2-enyl)-1,4-diazepane
CID 90742395
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
CID 44596412
1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
CID 104870055

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine?
The IUPAC name of 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine (CID 82623664) is 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine is c1ccc(CN2CCCC2CC2CCCNC2)cc1.
What is the InChIKey of 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine?
The InChIKey is NAYFTWLUJGHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-15(7-3-1)14-19-11-5-9-17(19)12-16-8-4-10-18-13-16/h1-3,6-7,16-18H,4-5,8-14H2.
What are the key properties of 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine?
3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine is sourced from PubChem (CID 82623664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).