1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine

C18H25FN2O — CID 127264798

IUPAC1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
SMILESFc1ccc(C=CCN2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C18H25FN2O/c19-18-5-3-16(4-6-18)2-1-8-20-9-11-21(12-10-20)14-17-7-13-22-15-17/h1-6,17H,7-15H2
InChIKeyINTUOHAYBWDOOS-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine

1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine (PubChem CID 127264798) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
PubChem CID127264798
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
SMILESFc1ccc(C=CCN2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C18H25FN2O/c19-18-5-3-16(4-6-18)2-1-8-20-9-11-21(12-10-20)14-17-7-13-22-15-17/h1-6,17H,7-15H2
InChIKeyINTUOHAYBWDOOS-UHFFFAOYSA-N
XLogP2.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 91940167
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
CID 122158319
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
4-ethyl-3-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50959679
N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95188008

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine (CID 127264798) is 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine is Fc1ccc(C=CCN2CCN(CC3CCOC3)CC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
The InChIKey is INTUOHAYBWDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-18-5-3-16(4-6-18)2-1-8-20-9-11-21(12-10-20)14-17-7-13-22-15-17/h1-6,17H,7-15H2.
What are the key properties of 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine has a molecular weight of 304.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 127264798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).