1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol

C20H33FN2O — CID 110181226

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
SMILESCCCCCCCCC(O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H33FN2O/c1-2-3-4-5-6-7-8-20(24)17-22-13-15-23(16-14-22)19-11-9-18(21)10-12-19/h9-12,20,24H,2-8,13-17H2,1H3
InChIKeyLEYAFXCPZVCASV-UHFFFAOYSA-N
MW336.50 g/mol
LogP4.06
Rot. Bonds10

About 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol

1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol (PubChem CID 110181226) has the molecular formula C20H33FN2O and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
PubChem CID110181226
Molecular FormulaC20H33FN2O
Molecular Weight336.50 g/mol
Exact Mass336.26
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
SMILESCCCCCCCCC(O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H33FN2O/c1-2-3-4-5-6-7-8-20(24)17-22-13-15-23(16-14-22)19-11-9-18(21)10-12-19/h9-12,20,24H,2-8,13-17H2,1H3
InChIKeyLEYAFXCPZVCASV-UHFFFAOYSA-N
XLogP4.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dropropizine
CID 3169
Levodropropizine
CID 65859
1-Piperazineethanol, 4-phenyl-
CID 96699
(2R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol
CID 688451
2-(4-Phenyl-piperazin-1-yl)-cyclohexanol
CID 15925788
trans-(1R,2R)-2-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
CID 15925789
2-(3-Methyl-4-phenyl-piperazin-1-yl)-cyclohexanol
CID 15925877
(S)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 25032702
(E)-1-(but-2-enyl)-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410919
(R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 44580764
1-Piperazineethanol, alpha-benzyl-4-phenyl-
CID 278305
1-Piperazineethanol, 4-phenyl-, monohydrochloride
CID 215782

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol (CID 110181226) is 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol is CCCCCCCCC(O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol?
The InChIKey is LEYAFXCPZVCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN2O/c1-2-3-4-5-6-7-8-20(24)17-22-13-15-23(16-14-22)19-11-9-18(21)10-12-19/h9-12,20,24H,2-8,13-17H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol?
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol has a molecular weight of 336.50 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol is sourced from PubChem (CID 110181226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).