1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine

C16H21N3 — CID 22219583

IUPAC1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine
SMILESC1=CNC(N2CCN(Cc3ccccc3)CC2)C=C1
InChIInChI=1S/C16H21N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h1-9,16-17H,10-14H2
InChIKeySSWRONNXBWAZLH-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.80
Rot. Bonds3

About 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine

1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine (PubChem CID 22219583) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine
PubChem CID22219583
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine
SMILESC1=CNC(N2CCN(Cc3ccccc3)CC2)C=C1
InChIInChI=1S/C16H21N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h1-9,16-17H,10-14H2
InChIKeySSWRONNXBWAZLH-UHFFFAOYSA-N
XLogP1.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
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1-benzylazepane
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5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
azane;1-benzylpiperazine
CID 174866973
2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
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1-benzyl-4-[(3S)-3-fluoropiperidin-4-yl]piperazine
CID 170185695
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CID 68830875

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine?
The IUPAC name of 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine (CID 22219583) is 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine?
The canonical SMILES for 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine is C1=CNC(N2CCN(Cc3ccccc3)CC2)C=C1.
What is the InChIKey of 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine?
The InChIKey is SSWRONNXBWAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h1-9,16-17H,10-14H2.
What are the key properties of 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine?
1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine has a molecular weight of 255.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine is sourced from PubChem (CID 22219583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).