(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine

C11H22N2 — CID 168934429

IUPAC(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine
SMILESCC(C)/C=C/CN1CCN[C@@H](C)C1
InChIInChI=1S/C11H22N2/c1-10(2)5-4-7-13-8-6-12-11(3)9-13/h4-5,10-12H,6-9H2,1-3H3/b5-4+/t11-/m0/s1
InChIKeyMPOWFEXQBYKOLI-ZWNMCFTASA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds3

About (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine

(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine (PubChem CID 168934429) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine
PubChem CID168934429
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine
SMILESCC(C)/C=C/CN1CCN[C@@H](C)C1
InChIInChI=1S/C11H22N2/c1-10(2)5-4-7-13-8-6-12-11(3)9-13/h4-5,10-12H,6-9H2,1-3H3/b5-4+/t11-/m0/s1
InChIKeyMPOWFEXQBYKOLI-ZWNMCFTASA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
CID 65448653
1-[(E)-3-cyclopropylprop-2-enyl]-3-methyl-1,4-diazepane
CID 131234517
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
CID 104977369
1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
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2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propanoic acid
CID 104977275
(3S)-1-[dideuterio-(1-deuteriocyclopropyl)methyl]-3-methylpiperazine
CID 139391199
3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 103815505
1-[(3R)-3-methylpiperazin-1-yl]butan-2-ol
CID 104975632
3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79351237
3-methyl-1-prop-2-ynylpiperazine
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3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 119924370

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine (CID 168934429) is (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine is CC(C)/C=C/CN1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine?
The InChIKey is MPOWFEXQBYKOLI-ZWNMCFTASA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)5-4-7-13-8-6-12-11(3)9-13/h4-5,10-12H,6-9H2,1-3H3/b5-4+/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine?
(3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(E)-4-methylpent-2-enyl]piperazine is sourced from PubChem (CID 168934429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).