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

C11H22N4 — CID 142252974

IUPAC1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine
SMILESC1=NC(CN2CCNCC2)=CCC1.CN
InChIInChI=1S/C10H17N3.CH5N/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;1-2/h3-4,11H,1-2,5-9H2;2H2,1H3
InChIKeyIBQLKRVIOUNFEB-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.22
Rot. Bonds2

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

1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine (PubChem CID 142252974) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine
PubChem CID142252974
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine
SMILESC1=NC(CN2CCNCC2)=CCC1.CN
InChIInChI=1S/C10H17N3.CH5N/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;1-2/h3-4,11H,1-2,5-9H2;2H2,1H3
InChIKeyIBQLKRVIOUNFEB-UHFFFAOYSA-N
XLogP0.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
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
CID 142252975

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine?
The IUPAC name of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine (CID 142252974) is 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine.
What is the SMILES notation for 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine?
The canonical SMILES for 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine is C1=NC(CN2CCNCC2)=CCC1.CN.
What is the InChIKey of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine?
The InChIKey is IBQLKRVIOUNFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.CH5N/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;1-2/h3-4,11H,1-2,5-9H2;2H2,1H3.
What are the key properties of 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine?
1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine has a molecular weight of 210.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-6-ylmethyl)piperazine;methanamine is sourced from PubChem (CID 142252974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).