1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine

C10H17N3 — CID 57261291

IUPAC1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine
SMILESCN1CCN(C2=NC=CCC2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h3,5H,2,4,6-9H2,1H3
InChIKeyLDHFLCQUDLSOCP-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.94
Rot. Bonds

About 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine

1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine (PubChem CID 57261291) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine
PubChem CID57261291
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine
SMILESCN1CCN(C2=NC=CCC2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h3,5H,2,4,6-9H2,1H3
InChIKeyLDHFLCQUDLSOCP-UHFFFAOYSA-N
XLogP0.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
CID 58142763
1-methyl-4-(4-methyl-3H-pyrrol-2-yl)piperazine
CID 60002151
1-(3,4-Dihydropyridin-2-yl)piperazine
CID 68152821
N,N-bis(prop-2-enyl)-3,4-dihydropyridin-2-amine
CID 70579189
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
8,9-dihydro-4H-pyrido[1,2-a]pyrimidine
CID 118369227
N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
CID 123537710
2-Methyl-2,3,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 123759322
2,3,7,8-Tetrahydroimidazo[1,2-a]pyridine
CID 129198681
2-methyl-N-[(1E)-2-methylbuta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 135234672
N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
CID 137413297
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine (CID 57261291) is 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine is CN1CCN(C2=NC=CCC2)CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine?
The InChIKey is LDHFLCQUDLSOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h3,5H,2,4,6-9H2,1H3.
What are the key properties of 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine?
1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine has a molecular weight of 179.27 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-2-yl)-4-methylpiperazine is sourced from PubChem (CID 57261291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).