1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine

C14H25N3 — CID 145198151

IUPAC1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine
SMILESCC(C)C1CC=C(CN2CCN(C)CC2)C=N1
InChIInChI=1S/C14H25N3/c1-12(2)14-5-4-13(10-15-14)11-17-8-6-16(3)7-9-17/h4,10,12,14H,5-9,11H2,1-3H3
InChIKeyZXEZZBALEVVZHZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.66
Rot. Bonds3

About 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine

1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine (PubChem CID 145198151) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine
PubChem CID145198151
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine
SMILESCC(C)C1CC=C(CN2CCN(C)CC2)C=N1
InChIInChI=1S/C14H25N3/c1-12(2)14-5-4-13(10-15-14)11-17-8-6-16(3)7-9-17/h4,10,12,14H,5-9,11H2,1-3H3
InChIKeyZXEZZBALEVVZHZ-UHFFFAOYSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
5-[(4-Methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 143240494
5-[(3-Methylpiperidin-1-yl)methyl]-2,3-dihydropyridine
CID 145106243
(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-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine (CID 145198151) is 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine is CC(C)C1CC=C(CN2CCN(C)CC2)C=N1.
What is the InChIKey of 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine?
The InChIKey is ZXEZZBALEVVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)14-5-4-13(10-15-14)11-17-8-6-16(3)7-9-17/h4,10,12,14H,5-9,11H2,1-3H3.
What are the key properties of 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine?
1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine has a molecular weight of 235.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine is sourced from PubChem (CID 145198151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).