1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine

C10H17N3 — CID 163493808

IUPAC1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine
SMILESCC1C=NC=CC1N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9-8-12-3-2-10(9)13-6-4-11-5-7-13/h2-3,8-11H,4-7H2,1H3
InChIKeyCOXXDOGMKRTWBB-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.49
Rot. Bonds1

About 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine

1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine (PubChem CID 163493808) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine
PubChem CID163493808
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine
SMILESCC1C=NC=CC1N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9-8-12-3-2-10(9)13-6-4-11-5-7-13/h2-3,8-11H,4-7H2,1H3
InChIKeyCOXXDOGMKRTWBB-UHFFFAOYSA-N
XLogP0.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine?
The IUPAC name of 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine (CID 163493808) is 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine.
What is the SMILES notation for 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine?
The canonical SMILES for 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine is CC1C=NC=CC1N1CCNCC1.
What is the InChIKey of 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine?
The InChIKey is COXXDOGMKRTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-8-12-3-2-10(9)13-6-4-11-5-7-13/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine?
1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydropyridin-4-yl)piperazine is sourced from PubChem (CID 163493808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).