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

C14H25N3 — CID 142358594

IUPAC1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
SMILESCC(C)C1=NC=C(CN2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3/c1-12(2)14-5-4-13(10-15-14)11-17-8-6-16(3)7-9-17/h10,12H,4-9,11H2,1-3H3
InChIKeyXNJBTCLYRCTQJJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.01
Rot. Bonds3

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

1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine (PubChem CID 142358594) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
PubChem CID142358594
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
SMILESCC(C)C1=NC=C(CN2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3/c1-12(2)14-5-4-13(10-15-14)11-17-8-6-16(3)7-9-17/h10,12H,4-9,11H2,1-3H3
InChIKeyXNJBTCLYRCTQJJ-UHFFFAOYSA-N
XLogP2.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
CID 89311359
1-(2,4-Dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
CID 123287693
3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine
CID 142358589
1-[(2-Propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 142358626
2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
CID 142358638
5-Methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine
CID 163518118
1-[(2-Tert-butyl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 169691823
CID 173928020
CID 173928020

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine (CID 142358594) is 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine is CC(C)C1=NC=C(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
The InChIKey is XNJBTCLYRCTQJJ-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/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
1-methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine has a molecular weight of 235.37 g/mol, XLogP of 2.01, 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-3,4-dihydropyridin-5-yl)methyl]piperazine is sourced from PubChem (CID 142358594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).