5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine

C16H33N3 — CID 64937106

IUPAC5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCCC(C)C1CN(C2CCN(C)CC2)C(CC)CN1
InChIInChI=1S/C16H33N3/c1-5-13(3)16-12-19(14(6-2)11-17-16)15-7-9-18(4)10-8-15/h13-17H,5-12H2,1-4H3
InChIKeyZDXYLNZSKYXPPC-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine

5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine (PubChem CID 64937106) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
PubChem CID64937106
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCCC(C)C1CN(C2CCN(C)CC2)C(CC)CN1
InChIInChI=1S/C16H33N3/c1-5-13(3)16-12-19(14(6-2)11-17-16)15-7-9-18(4)10-8-15/h13-17H,5-12H2,1-4H3
InChIKeyZDXYLNZSKYXPPC-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
2-ethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937105
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935586
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
CID 64977928
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
CID 64936576
2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 64977779
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64938534
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
CID 114174365

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine (CID 64937106) is 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine is CCC(C)C1CN(C2CCN(C)CC2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is ZDXYLNZSKYXPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-13(3)16-12-19(14(6-2)11-17-16)15-7-9-18(4)10-8-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine?
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 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-ethyl-1-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 64937106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).