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

C17H26N2 — CID 82665559

IUPAC1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
SMILESc1ccc(CN2CCC(CC3CCCN3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-16(6-3-1)14-19-11-8-15(9-12-19)13-17-7-4-10-18-17/h1-3,5-6,15,17-18H,4,7-14H2
InChIKeyLCVJZAGJRGPAHQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds4

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

1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 82665559) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
PubChem CID82665559
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
SMILESc1ccc(CN2CCC(CC3CCCN3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-16(6-3-1)14-19-11-8-15(9-12-19)13-17-7-4-10-18-17/h1-3,5-6,15,17-18H,4,7-14H2
InChIKeyLCVJZAGJRGPAHQ-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

1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 173472767
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
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
CID 119856028
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
CID 70079298

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine (CID 82665559) is 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine is c1ccc(CN2CCC(CC3CCCN3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is LCVJZAGJRGPAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-5-16(6-3-1)14-19-11-8-15(9-12-19)13-17-7-4-10-18-17/h1-3,5-6,15,17-18H,4,7-14H2.
What are the key properties of 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine?
1-benzyl-4-(pyrrolidin-2-ylmethyl)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 1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 82665559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).