1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine

C18H28N2 — CID 82667436

IUPAC1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
SMILESc1ccc(CN2CCC(CCC3CCCN3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-17(6-3-1)15-20-13-10-16(11-14-20)8-9-18-7-4-12-19-18/h1-3,5-6,16,18-19H,4,7-15H2
InChIKeyZPXFEHWPDKBSTP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds5

About 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine

1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine (PubChem CID 82667436) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
PubChem CID82667436
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
SMILESc1ccc(CN2CCC(CCC3CCCN3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-17(6-3-1)15-20-13-10-16(11-14-20)8-9-18-7-4-12-19-18/h1-3,5-6,16,18-19H,4,7-15H2
InChIKeyZPXFEHWPDKBSTP-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
CID 82665559
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
CID 70079298
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-benzylpiperidin-4-amine;piperazine
CID 68641719
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
CID 117436736
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine?
The IUPAC name of 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine (CID 82667436) is 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine?
The canonical SMILES for 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine is c1ccc(CN2CCC(CCC3CCCN3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine?
The InChIKey is ZPXFEHWPDKBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-5-17(6-3-1)15-20-13-10-16(11-14-20)8-9-18-7-4-12-19-18/h1-3,5-6,16,18-19H,4,7-15H2.
What are the key properties of 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine?
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine is sourced from PubChem (CID 82667436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).