3-butan-2-yl-1-(4-methylpentyl)piperazine

C14H30N2 — CID 64952597

IUPAC3-butan-2-yl-1-(4-methylpentyl)piperazine
SMILESCCC(C)C1CN(CCCC(C)C)CCN1
InChIInChI=1S/C14H30N2/c1-5-13(4)14-11-16(10-8-15-14)9-6-7-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyYSVUOFXUBBBROG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 3-butan-2-yl-1-(4-methylpentyl)piperazine

3-butan-2-yl-1-(4-methylpentyl)piperazine (PubChem CID 64952597) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-butan-2-yl-1-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(4-methylpentyl)piperazine
PubChem CID64952597
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-butan-2-yl-1-(4-methylpentyl)piperazine
SMILESCCC(C)C1CN(CCCC(C)C)CCN1
InChIInChI=1S/C14H30N2/c1-5-13(4)14-11-16(10-8-15-14)9-6-7-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyYSVUOFXUBBBROG-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170076
3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
CID 64942559
3-butan-2-yl-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488328
3-butan-2-yl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519153
3-butan-2-yl-1-(3-ethoxypropyl)-1,4-diazepane
CID 64944486
1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907056
3-butan-2-yl-1-(2-butoxyethyl)-1,4-diazepane
CID 64858228
3-butan-2-yl-1-[(1-propan-2-ylcyclopropyl)methyl]piperazine
CID 114114104
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
3-butan-2-yl-1-[(4-methylcyclohexyl)methyl]piperazine
CID 64954197

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(4-methylpentyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(4-methylpentyl)piperazine (CID 64952597) is 3-butan-2-yl-1-(4-methylpentyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(4-methylpentyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(4-methylpentyl)piperazine is CCC(C)C1CN(CCCC(C)C)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(4-methylpentyl)piperazine?
The InChIKey is YSVUOFXUBBBROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(4)14-11-16(10-8-15-14)9-6-7-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-butan-2-yl-1-(4-methylpentyl)piperazine?
3-butan-2-yl-1-(4-methylpentyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(4-methylpentyl)piperazine is sourced from PubChem (CID 64952597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).