1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine

C13H23N3 — CID 70843752

IUPAC1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
SMILESCC1=CCC(N2CCN(C(C)C)CC2)N=C1
InChIInChI=1S/C13H23N3/c1-11(2)15-6-8-16(9-7-15)13-5-4-12(3)10-14-13/h4,10-11,13H,5-9H2,1-3H3
InChIKeyOJHBLBIZEMOIGF-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.76
Rot. Bonds2

About 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine

1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine (PubChem CID 70843752) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
PubChem CID70843752
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
SMILESCC1=CCC(N2CCN(C(C)C)CC2)N=C1
InChIInChI=1S/C13H23N3/c1-11(2)15-6-8-16(9-7-15)13-5-4-12(3)10-14-13/h4,10-11,13H,5-9H2,1-3H3
InChIKeyOJHBLBIZEMOIGF-UHFFFAOYSA-N
XLogP1.76
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
CID 144656714
1-Tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 90871964
1-Ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 91490711
4-[2-(2,3-Dihydropyridin-4-yl)ethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 91807105
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine
CID 137383022
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine
CID 145198327

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine (CID 70843752) is 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine is CC1=CCC(N2CCN(C(C)C)CC2)N=C1.
What is the InChIKey of 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is OJHBLBIZEMOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)15-6-8-16(9-7-15)13-5-4-12(3)10-14-13/h4,10-11,13H,5-9H2,1-3H3.
What are the key properties of 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 221.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 70843752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).