1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol

C17H25FN2O — CID 3725440

IUPAC1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-4-17(21)14-20-11-9-19(10-12-20)13-15-5-7-16(18)8-6-15/h2,5-8,17,21H,1,3-4,9-14H2
InChIKeyJTTUKMPJYVFUAZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.27
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol

1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol (PubChem CID 3725440) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol
PubChem CID3725440
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-4-17(21)14-20-11-9-19(10-12-20)13-15-5-7-16(18)8-6-15/h2,5-8,17,21H,1,3-4,9-14H2
InChIKeyJTTUKMPJYVFUAZ-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051293
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol
CID 3870393
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol
CID 146492058
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913
1-dodecoxy-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 13037800
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol
CID 10199558
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol (CID 3725440) is 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol is C=CCCC(O)CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol?
The InChIKey is JTTUKMPJYVFUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-3-4-17(21)14-20-11-9-19(10-12-20)13-15-5-7-16(18)8-6-15/h2,5-8,17,21H,1,3-4,9-14H2.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol?
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol has a molecular weight of 292.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 3725440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).