5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine

C15H31N3 — CID 64936762

IUPAC5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCCC(C)C1CN(CC2CCN(C)C2)C(C)CN1
InChIInChI=1S/C15H31N3/c1-5-12(2)15-11-18(13(3)8-16-15)10-14-6-7-17(4)9-14/h12-16H,5-11H2,1-4H3
InChIKeyWRGHVCNTIMSWRC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds4

About 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine

5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 64936762) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID64936762
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCCC(C)C1CN(CC2CCN(C)C2)C(C)CN1
InChIInChI=1S/C15H31N3/c1-5-12(2)15-11-18(13(3)8-16-15)10-14-6-7-17(4)9-14/h12-16H,5-11H2,1-4H3
InChIKeyWRGHVCNTIMSWRC-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64931690
5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
CID 114188253
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine (CID 64936762) is 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine is CCC(C)C1CN(CC2CCN(C)C2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is WRGHVCNTIMSWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-12(2)15-11-18(13(3)8-16-15)10-14-6-7-17(4)9-14/h12-16H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine?
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 64936762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).