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

C16H32N2 — CID 107415555

IUPAC5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
SMILESCCC(C)C1CN(CC2CCC(C)C2)C(C)CN1
InChIInChI=1S/C16H32N2/c1-5-13(3)16-11-18(14(4)9-17-16)10-15-7-6-12(2)8-15/h12-17H,5-11H2,1-4H3
InChIKeyWYSSBSSUEQUJSV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

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

5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine (PubChem CID 107415555) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
PubChem CID107415555
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
SMILESCCC(C)C1CN(CC2CCC(C)C2)C(C)CN1
InChIInChI=1S/C16H32N2/c1-5-13(3)16-11-18(14(4)9-17-16)10-15-7-6-12(2)8-15/h12-17H,5-11H2,1-4H3
InChIKeyWYSSBSSUEQUJSV-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
5-methyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415594
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
3-butan-2-yl-1-[(4-methylcyclohexyl)methyl]piperazine
CID 64954197

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine (CID 107415555) is 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine is CCC(C)C1CN(CC2CCC(C)C2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine?
The InChIKey is WYSSBSSUEQUJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-13(3)16-11-18(14(4)9-17-16)10-15-7-6-12(2)8-15/h12-17H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine?
5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine is sourced from PubChem (CID 107415555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).