(3S)-3-methyl-1-(2-methylidenebutyl)piperazine

C10H20N2 — CID 104977151

IUPAC(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
SMILESC=C(CC)CN1CCN[C@@H](C)C1
InChIInChI=1S/C10H20N2/c1-4-9(2)7-12-6-5-11-10(3)8-12/h10-11H,2,4-8H2,1,3H3/t10-/m0/s1
InChIKeyYCBNIWVRGRGJHV-JTQLQIEISA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About (3S)-3-methyl-1-(2-methylidenebutyl)piperazine

(3S)-3-methyl-1-(2-methylidenebutyl)piperazine (PubChem CID 104977151) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2-methylidenebutyl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
PubChem CID104977151
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
SMILESC=C(CC)CN1CCN[C@@H](C)C1
InChIInChI=1S/C10H20N2/c1-4-9(2)7-12-6-5-11-10(3)8-12/h10-11H,2,4-8H2,1,3H3/t10-/m0/s1
InChIKeyYCBNIWVRGRGJHV-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(2-methylidenebutyl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(2-methylidenebutyl)piperazine (CID 104977151) is (3S)-3-methyl-1-(2-methylidenebutyl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(2-methylidenebutyl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(2-methylidenebutyl)piperazine is C=C(CC)CN1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-(2-methylidenebutyl)piperazine?
The InChIKey is YCBNIWVRGRGJHV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2/c1-4-9(2)7-12-6-5-11-10(3)8-12/h10-11H,2,4-8H2,1,3H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(2-methylidenebutyl)piperazine?
(3S)-3-methyl-1-(2-methylidenebutyl)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 (3S)-3-methyl-1-(2-methylidenebutyl)piperazine is sourced from PubChem (CID 104977151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).