1-(1-fluoroethyl)-N-methylpiperazin-2-imine

C7H14FN3 — CID 163849334

IUPAC1-(1-fluoroethyl)-N-methylpiperazin-2-imine
SMILESC/N=C1\CNCCN1C(C)F
InChIInChI=1S/C7H14FN3/c1-6(8)11-4-3-10-5-7(11)9-2/h6,10H,3-5H2,1-2H3/b9-7+
InChIKeyOSYUXNIYYUEDNZ-VQHVLOKHSA-N
MW159.21 g/mol
LogP0.24
Rot. Bonds1

About 1-(1-fluoroethyl)-N-methylpiperazin-2-imine

1-(1-fluoroethyl)-N-methylpiperazin-2-imine (PubChem CID 163849334) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-N-methylpiperazin-2-imine.

Molecular Properties

Compound Name1-(1-fluoroethyl)-N-methylpiperazin-2-imine
PubChem CID163849334
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name1-(1-fluoroethyl)-N-methylpiperazin-2-imine
SMILESC/N=C1\CNCCN1C(C)F
InChIInChI=1S/C7H14FN3/c1-6(8)11-4-3-10-5-7(11)9-2/h6,10H,3-5H2,1-2H3/b9-7+
InChIKeyOSYUXNIYYUEDNZ-VQHVLOKHSA-N
XLogP0.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Imino methyl piperazine
CID 70652927
Dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium
CID 123539810
N-(fluoromethyl)-1-piperazin-1-ylethanimine
CID 123953554
3-Fluoro-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrazine
CID 132196529
2,2,2-trifluoro-N-(4-methylpiperazin-1-ium-2-ylidene)ethanimidamide
CID 144072518
N-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 164141490
2,2,2-Trifluoro-1-(2-iminopiperazin-1-ium-1-ylidene)ethanamine
CID 164180624
2,3,5,6,7,8-Hexahydroimidazo[1,2-a]pyrazine
CID 67578460
1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine
CID 162558506
2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium
CID 12462130
1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium
CID 18759389
1-Piperazin-1-ylethanimine
CID 20077988

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-N-methylpiperazin-2-imine?
The IUPAC name of 1-(1-fluoroethyl)-N-methylpiperazin-2-imine (CID 163849334) is 1-(1-fluoroethyl)-N-methylpiperazin-2-imine.
What is the SMILES notation for 1-(1-fluoroethyl)-N-methylpiperazin-2-imine?
The canonical SMILES for 1-(1-fluoroethyl)-N-methylpiperazin-2-imine is C/N=C1\CNCCN1C(C)F.
What is the InChIKey of 1-(1-fluoroethyl)-N-methylpiperazin-2-imine?
The InChIKey is OSYUXNIYYUEDNZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14FN3/c1-6(8)11-4-3-10-5-7(11)9-2/h6,10H,3-5H2,1-2H3/b9-7+.
What are the key properties of 1-(1-fluoroethyl)-N-methylpiperazin-2-imine?
1-(1-fluoroethyl)-N-methylpiperazin-2-imine has a molecular weight of 159.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-N-methylpiperazin-2-imine is sourced from PubChem (CID 163849334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).