1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine

C13H26N2 — CID 130281257

IUPAC1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine
SMILESC=C(N1CCN(C)CC1)C(C)(C)C(C)C
InChIInChI=1S/C13H26N2/c1-11(2)13(4,5)12(3)15-9-7-14(6)8-10-15/h11H,3,7-10H2,1-2,4-6H3
InChIKeyFOESHFUOTXTMEI-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.43
Rot. Bonds3

About 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine

1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine (PubChem CID 130281257) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine
PubChem CID130281257
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine
SMILESC=C(N1CCN(C)CC1)C(C)(C)C(C)C
InChIInChI=1S/C13H26N2/c1-11(2)13(4,5)12(3)15-9-7-14(6)8-10-15/h11H,3,7-10H2,1-2,4-6H3
InChIKeyFOESHFUOTXTMEI-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
CID 129182710
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
2,3-dimethyl-2-(4-methylpiperazin-1-yl)butanoic acid
CID 65420106
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine (CID 130281257) is 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine is C=C(N1CCN(C)CC1)C(C)(C)C(C)C.
What is the InChIKey of 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine?
The InChIKey is FOESHFUOTXTMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)13(4,5)12(3)15-9-7-14(6)8-10-15/h11H,3,7-10H2,1-2,4-6H3.
What are the key properties of 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine?
1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine has a molecular weight of 210.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine is sourced from PubChem (CID 130281257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).