(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine

C10H20N2 — CID 104975739

IUPAC(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
SMILESC=C(C)CCN1CCN[C@H](C)C1
InChIInChI=1S/C10H20N2/c1-9(2)4-6-12-7-5-11-10(3)8-12/h10-11H,1,4-8H2,2-3H3/t10-/m1/s1
InChIKeyIBRMQMILQUHBJT-SNVBAGLBSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine

(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine (PubChem CID 104975739) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
PubChem CID104975739
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
SMILESC=C(C)CCN1CCN[C@H](C)C1
InChIInChI=1S/C10H20N2/c1-9(2)4-6-12-7-5-11-10(3)8-12/h10-11H,1,4-8H2,2-3H3/t10-/m1/s1
InChIKeyIBRMQMILQUHBJT-SNVBAGLBSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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

N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976767
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
CID 79355818
(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
CID 104977151
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
CID 131010612
3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
CID 114469706
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
CID 104976946
1-(3-methylbut-3-enyl)azetidin-3-ol
CID 114476551
2,2-dimethyl-4-(3-methylpiperazin-1-yl)butanenitrile
CID 65449779
N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
CID 95436399
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine (CID 104975739) is (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine is C=C(C)CCN1CCN[C@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine?
The InChIKey is IBRMQMILQUHBJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)4-6-12-7-5-11-10(3)8-12/h10-11H,1,4-8H2,2-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine?
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine is sourced from PubChem (CID 104975739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).