(5S)-2,5-dimethyl-1-prop-2-enylpiperazine

C9H18N2 — CID 91251130

IUPAC(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
SMILESC=CCN1C[C@H](C)NCC1C
InChIInChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9?/m0/s1
InChIKeyVKUXNUOPPQWDMV-IENPIDJESA-N
MW154.26 g/mol
LogP0.85
Rot. Bonds2

About (5S)-2,5-dimethyl-1-prop-2-enylpiperazine

(5S)-2,5-dimethyl-1-prop-2-enylpiperazine (PubChem CID 91251130) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (5S)-2,5-dimethyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
PubChem CID91251130
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
SMILESC=CCN1C[C@H](C)NCC1C
InChIInChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9?/m0/s1
InChIKeyVKUXNUOPPQWDMV-IENPIDJESA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-2,5-dimethyl-1-prop-2-enylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
2,5-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 114516807
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
CID 120906011
3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
CID 82850214
2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83147550
1-(2,5-dimethylpiperazin-1-yl)butan-2-amine
CID 67575946
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine
CID 81093833
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-but-3-en-2-yl-2,5-dimethylpiperazine
CID 64980427
2,5-dimethyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
CID 64936485

Frequently Asked Questions

What is the IUPAC name of (5S)-2,5-dimethyl-1-prop-2-enylpiperazine?
The IUPAC name of (5S)-2,5-dimethyl-1-prop-2-enylpiperazine (CID 91251130) is (5S)-2,5-dimethyl-1-prop-2-enylpiperazine.
What is the SMILES notation for (5S)-2,5-dimethyl-1-prop-2-enylpiperazine?
The canonical SMILES for (5S)-2,5-dimethyl-1-prop-2-enylpiperazine is C=CCN1C[C@H](C)NCC1C.
What is the InChIKey of (5S)-2,5-dimethyl-1-prop-2-enylpiperazine?
The InChIKey is VKUXNUOPPQWDMV-IENPIDJESA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9?/m0/s1.
What are the key properties of (5S)-2,5-dimethyl-1-prop-2-enylpiperazine?
(5S)-2,5-dimethyl-1-prop-2-enylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5-dimethyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 91251130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).