1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine

C9H17N3 — CID 144729431

IUPAC1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine
SMILESC/C=C\N=C1/CN(C)CCN1C
InChIInChI=1S/C9H17N3/c1-4-5-10-9-8-11(2)6-7-12(9)3/h4-5H,6-8H2,1-3H3/b5-4-,10-9+
InChIKeyNPIDUTUYYYXCFN-HJXNJETESA-N
MW167.26 g/mol
LogP0.80
Rot. Bonds1

About 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine

1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine (PubChem CID 144729431) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine.

Molecular Properties

Compound Name1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine
PubChem CID144729431
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine
SMILESC/C=C\N=C1/CN(C)CCN1C
InChIInChI=1S/C9H17N3/c1-4-5-10-9-8-11(2)6-7-12(9)3/h4-5H,6-8H2,1-3H3/b5-4-,10-9+
InChIKeyNPIDUTUYYYXCFN-HJXNJETESA-N
XLogP0.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine
CID 57261291
1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
CID 58142763
2-methyl-3-propyl-4H-pyrimidine
CID 68059140
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
N-[(1Z)-buta-1,3-dienyl]-1-(4-cyclopropylpiperazin-1-yl)ethanimine
CID 88944972
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
CID 89117774
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
4,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-4-ium
CID 91370744
N-ethenyl-1,4-dimethylpiperazin-2-imine
CID 117626237
1,2,3-triethyl-4H-pyrimidin-3-ium
CID 121295176
N-ethyl-N-methyl-2-(2-methyl-4H-pyrimidin-1-yl)ethanamine
CID 123244902

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine?
The IUPAC name of 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine (CID 144729431) is 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine.
What is the SMILES notation for 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine?
The canonical SMILES for 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine is C/C=C\N=C1/CN(C)CCN1C.
What is the InChIKey of 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine?
The InChIKey is NPIDUTUYYYXCFN-HJXNJETESA-N. The full InChI is InChI=1S/C9H17N3/c1-4-5-10-9-8-11(2)6-7-12(9)3/h4-5H,6-8H2,1-3H3/b5-4-,10-9+.
What are the key properties of 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine?
1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine is sourced from PubChem (CID 144729431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).