1-(3,4-dihydropyridin-6-ylmethyl)piperazine

C10H17N3 — CID 142252975

IUPAC1-(3,4-dihydropyridin-6-ylmethyl)piperazine
SMILESC1=NC(CN2CCNCC2)=CCC1
InChIInChI=1S/C10H17N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h3-4,11H,1-2,5-9H2
InChIKeyQCBAZEKZFFMSNA-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.64
Rot. Bonds2

About 1-(3,4-dihydropyridin-6-ylmethyl)piperazine

1-(3,4-dihydropyridin-6-ylmethyl)piperazine (PubChem CID 142252975) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-6-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-6-ylmethyl)piperazine
PubChem CID142252975
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3,4-dihydropyridin-6-ylmethyl)piperazine
SMILESC1=NC(CN2CCNCC2)=CCC1
InChIInChI=1S/C10H17N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h3-4,11H,1-2,5-9H2
InChIKeyQCBAZEKZFFMSNA-UHFFFAOYSA-N
XLogP0.64
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 20641669
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
7-methyl-4-piperazin-1-yl-3H-azepine
CID 134406025
N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine
CID 134406029
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
CID 134406064
6-(methylaminomethyl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)-3,4-dihydropyridin-5-amine
CID 137506839
N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine
CID 142143988
1-(3,4-Dihydropyridin-6-ylmethyl)piperazine;methanamine
CID 142252974

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine?
The IUPAC name of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine (CID 142252975) is 1-(3,4-dihydropyridin-6-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydropyridin-6-ylmethyl)piperazine?
The canonical SMILES for 1-(3,4-dihydropyridin-6-ylmethyl)piperazine is C1=NC(CN2CCNCC2)=CCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine?
The InChIKey is QCBAZEKZFFMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h3-4,11H,1-2,5-9H2.
What are the key properties of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine?
1-(3,4-dihydropyridin-6-ylmethyl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-6-ylmethyl)piperazine is sourced from PubChem (CID 142252975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).