1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine

C10H17N3 — CID 142349480

IUPAC1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine
SMILESCC1CC=CN=C1N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2,4,9,11H,3,5-8H2,1H3
InChIKeyCFGHQDVKSOIASK-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.84
Rot. Bonds

About 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine

1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine (PubChem CID 142349480) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine
PubChem CID142349480
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine
SMILESCC1CC=CN=C1N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2,4,9,11H,3,5-8H2,1H3
InChIKeyCFGHQDVKSOIASK-UHFFFAOYSA-N
XLogP0.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine
CID 57261291
3-tert-butylimino-N-ethyl-N-(piperidin-4-ylmethyl)-4H-pyridin-2-amine
CID 67694367
1-(3,4-Dihydropyridin-2-yl)piperazine
CID 68152821
4-(Piperidin-1-ylmethyl)-3,4-dihydropyridin-2-amine
CID 91096741
2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
CID 137062013
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324
1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine;ethane
CID 143703282
1-(5-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 156059049
N-ethenyl-4-methyl-3,4-dihydropyridin-2-amine
CID 156242083
1-(3,4-Dihydropyridin-3-ylmethyl)piperazine
CID 167022650
1-Butyl-4-(3,4-dihydropyridin-2-yl)piperazine
CID 144415149

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine?
The IUPAC name of 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine (CID 142349480) is 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine.
What is the SMILES notation for 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine?
The canonical SMILES for 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine is CC1CC=CN=C1N1CCNCC1.
What is the InChIKey of 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine?
The InChIKey is CFGHQDVKSOIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2,4,9,11H,3,5-8H2,1H3.
What are the key properties of 1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine?
1-(3-methyl-3,4-dihydropyridin-2-yl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.84, 0 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-2-yl)piperazine is sourced from PubChem (CID 142349480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).