1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine

C17H34N2 — CID 174071797

IUPAC1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine
SMILESCC/C=C(\CC(C)(C)C)N1CCN(C(C)C)CC1C
InChIInChI=1S/C17H34N2/c1-8-9-16(12-17(5,6)7)19-11-10-18(14(2)3)13-15(19)4/h9,14-15H,8,10-13H2,1-7H3/b16-9+
InChIKeyJQISQBROCLTTMJ-CXUHLZMHSA-N
MW266.47 g/mol
LogP4.13
Rot. Bonds4

About 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine

1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine (PubChem CID 174071797) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine
PubChem CID174071797
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine
SMILESCC/C=C(\CC(C)(C)C)N1CCN(C(C)C)CC1C
InChIInChI=1S/C17H34N2/c1-8-9-16(12-17(5,6)7)19-11-10-18(14(2)3)13-15(19)4/h9,14-15H,8,10-13H2,1-7H3/b16-9+
InChIKeyJQISQBROCLTTMJ-CXUHLZMHSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
CID 170195604
tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 68817055
tert-butyl 2-methyl-4-[(Z)-5-(methylamino)-1-oxooct-5-en-2-yl]piperazine-1-carboxylate
CID 177140557
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
3,3-dimethyl-1-(1-propan-2-ylazetidin-3-yl)butan-1-one
CID 59216544
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
1-[(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 154591417
(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 176797151
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 166864352
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine (CID 174071797) is 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine is CC/C=C(\CC(C)(C)C)N1CCN(C(C)C)CC1C.
What is the InChIKey of 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine?
The InChIKey is JQISQBROCLTTMJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H34N2/c1-8-9-16(12-17(5,6)7)19-11-10-18(14(2)3)13-15(19)4/h9,14-15H,8,10-13H2,1-7H3/b16-9+.
What are the key properties of 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine?
1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 174071797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).