3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol

C16H25FN2O — CID 115919273

IUPAC3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-3-16(20,4-2)13-18-9-11-19(12-10-18)15-7-5-14(17)6-8-15/h5-8,20H,3-4,9-13H2,1-2H3
InChIKeyINGZMAPDGSGVJI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.50
Rot. Bonds5

About 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol (PubChem CID 115919273) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol
PubChem CID115919273
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-3-16(20,4-2)13-18-9-11-19(12-10-18)15-7-5-14(17)6-8-15/h5-8,20H,3-4,9-13H2,1-2H3
InChIKeyINGZMAPDGSGVJI-UHFFFAOYSA-N
XLogP2.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 22687094
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-(2-bromo-3,3,3-trifluoropropyl)-4-(4-fluorophenyl)piperazine
CID 64758736
1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 858504
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropan-2-ol
CID 42589230
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-(4-fluorophenyl)-1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]prop-2-yn-1-ol
CID 87295263

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol (CID 115919273) is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol?
The InChIKey is INGZMAPDGSGVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-16(20,4-2)13-18-9-11-19(12-10-18)15-7-5-14(17)6-8-15/h5-8,20H,3-4,9-13H2,1-2H3.
What are the key properties of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol?
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol has a molecular weight of 280.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 115919273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).