5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine

C17H35N3 — CID 64936576

IUPAC5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(C2CCCN(C)C2)C(C(C)C)CN1
InChIInChI=1S/C17H35N3/c1-6-14(4)16-12-20(17(10-18-16)13(2)3)15-8-7-9-19(5)11-15/h13-18H,6-12H2,1-5H3
InChIKeyRURXMBMRKLYMAR-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds4

About 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine (PubChem CID 64936576) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
PubChem CID64936576
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(C2CCCN(C)C2)C(C(C)C)CN1
InChIInChI=1S/C17H35N3/c1-6-14(4)16-12-20(17(10-18-16)13(2)3)15-8-7-9-19(5)11-15/h13-18H,6-12H2,1-5H3
InChIKeyRURXMBMRKLYMAR-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64953097
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64939021
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine
CID 64936701
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine (CID 64936576) is 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine is CCC(C)C1CN(C2CCCN(C)C2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine?
The InChIKey is RURXMBMRKLYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-14(4)16-12-20(17(10-18-16)13(2)3)15-8-7-9-19(5)11-15/h13-18H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 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-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64936576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).