5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine

C17H35N3 — CID 64938534

IUPAC5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
SMILESCCC(C)C1CN(CC2CCCCN2C)C(CC)CN1
InChIInChI=1S/C17H35N3/c1-5-14(3)17-13-20(15(6-2)11-18-17)12-16-9-7-8-10-19(16)4/h14-18H,5-13H2,1-4H3
InChIKeyNDLRALIMIDHMAE-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine

5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine (PubChem CID 64938534) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
PubChem CID64938534
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
SMILESCCC(C)C1CN(CC2CCCCN2C)C(CC)CN1
InChIInChI=1S/C17H35N3/c1-5-14(3)17-13-20(15(6-2)11-18-17)12-16-9-7-8-10-19(16)4/h14-18H,5-13H2,1-4H3
InChIKeyNDLRALIMIDHMAE-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
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
4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64939113
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294228
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847451
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
CID 64847673
5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469740
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine (CID 64938534) is 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine is CCC(C)C1CN(CC2CCCCN2C)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine?
The InChIKey is NDLRALIMIDHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-14(3)17-13-20(15(6-2)11-18-17)12-16-9-7-8-10-19(16)4/h14-18H,5-13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine?
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 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-2-yl)methyl]piperazine is sourced from PubChem (CID 64938534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).