(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine

C10H19F2N4P — CID 134406739

IUPAC(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCNC(C(F)(F)P)C1
InChIInChI=1S/C10H19F2N4P/c1-7(13)2-3-9(14)16-5-4-15-8(6-16)10(11,12)17/h2-3,8,15H,4-6,13-14,17H2,1H3/b7-2-,9-3+
InChIKeyFFZHDOMYEFWDDB-YZSNKVSVSA-N
MW264.26 g/mol
LogP0.39
Rot. Bonds3

About (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine

(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine (PubChem CID 134406739) has the molecular formula C10H19F2N4P and a molecular weight of 264.26 g/mol. Its IUPAC name is (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
PubChem CID134406739
Molecular FormulaC10H19F2N4P
Molecular Weight264.26 g/mol
Exact Mass264.13
IUPAC Name(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCNC(C(F)(F)P)C1
InChIInChI=1S/C10H19F2N4P/c1-7(13)2-3-9(14)16-5-4-15-8(6-16)10(11,12)17/h2-3,8,15H,4-6,13-14,17H2,1H3/b7-2-,9-3+
InChIKeyFFZHDOMYEFWDDB-YZSNKVSVSA-N
XLogP0.39
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-[2-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406643
(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406672
ethane;(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197589
ethane;(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197864
(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
CID 145198260
(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197590
(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406066
ethane;(1E,3Z)-1-(2-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 145198187
ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 145198323
(1E,3Z)-1-[(3R)-3-methylpiperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 173752463
(1E,3Z)-1-[(2S)-2-methylpiperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 173752483
(1E,3Z)-1-(2-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406729

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine (CID 134406739) is (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCNC(C(F)(F)P)C1.
What is the InChIKey of (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine?
The InChIKey is FFZHDOMYEFWDDB-YZSNKVSVSA-N. The full InChI is InChI=1S/C10H19F2N4P/c1-7(13)2-3-9(14)16-5-4-15-8(6-16)10(11,12)17/h2-3,8,15H,4-6,13-14,17H2,1H3/b7-2-,9-3+.
What are the key properties of (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine has a molecular weight of 264.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).