1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine

C16H34N2 — CID 64934765

IUPAC1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(C(C)C(C)CC)C(C(C)C)CN1
InChIInChI=1S/C16H34N2/c1-7-9-15-11-18(14(6)13(5)8-2)16(10-17-15)12(3)4/h12-17H,7-11H2,1-6H3
InChIKeyNMIBRCVSCKNXDX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine

1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64934765) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64934765
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(C(C)C(C)CC)C(C(C)C)CN1
InChIInChI=1S/C16H34N2/c1-7-9-15-11-18(14(6)13(5)8-2)16(10-17-15)12(3)4/h12-17H,7-11H2,1-6H3
InChIKeyNMIBRCVSCKNXDX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(3-methylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64934402
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64948206
1-(3-methoxy-2-methylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 64946200
1-cyclooctyl-2-propan-2-yl-5-propylpiperazine
CID 64931569
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-yl-5-propylpiperazine
CID 64947776
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
2-propan-2-yl-5-propyl-1-(4-propylcyclohexyl)piperazine
CID 64946683
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine (CID 64934765) is 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(C(C)C(C)CC)C(C(C)C)CN1.
What is the InChIKey of 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is NMIBRCVSCKNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-9-15-11-18(14(6)13(5)8-2)16(10-17-15)12(3)4/h12-17H,7-11H2,1-6H3.
What are the key properties of 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine?
1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64934765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).