[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane

C14H20FN2P — CID 143877293

IUPAC[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane
SMILESFC(P)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C14H20FN2P/c15-14(18)17-11-9-16(10-12-17)8-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12,18H2/b7-4+
InChIKeyMVTNUJXSJYMISE-QPJJXVBHSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds4

About [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane

[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane (PubChem CID 143877293) has the molecular formula C14H20FN2P and a molecular weight of 266.30 g/mol. Its IUPAC name is [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane.

Molecular Properties

Compound Name[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane
PubChem CID143877293
Molecular FormulaC14H20FN2P
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane
SMILESFC(P)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C14H20FN2P/c15-14(18)17-11-9-16(10-12-17)8-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12,18H2/b7-4+
InChIKeyMVTNUJXSJYMISE-QPJJXVBHSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
2-[1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethylidene]indene-1,3-dione
CID 3744591

Frequently Asked Questions

What is the IUPAC name of [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane?
The IUPAC name of [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane (CID 143877293) is [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane.
What is the SMILES notation for [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane?
The canonical SMILES for [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane is FC(P)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane?
The InChIKey is MVTNUJXSJYMISE-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H20FN2P/c15-14(18)17-11-9-16(10-12-17)8-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12,18H2/b7-4+.
What are the key properties of [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane?
[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane has a molecular weight of 266.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane is sourced from PubChem (CID 143877293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).