1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

C17H27FN2O2 — CID 3667051

IUPAC1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2O2/c1-2-3-12-22-14-17(21)13-19-8-10-20(11-9-19)16-6-4-15(18)5-7-16/h4-7,17,21H,2-3,8-14H2,1H3
InChIKeyFRIGCLUXWZWQPX-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.13
Rot. Bonds8

About 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 3667051) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID3667051
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Name1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2O2/c1-2-3-12-22-14-17(21)13-19-8-10-20(11-9-19)16-6-4-15(18)5-7-16/h4-7,17,21H,2-3,8-14H2,1H3
InChIKeyFRIGCLUXWZWQPX-UHFFFAOYSA-N
XLogP2.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-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

(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 21228537
1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
CID 3846983
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
1-dodecoxy-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 13037800
(2R)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7195398
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 3482388
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 30930104
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 7025229
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl] N-(4-propoxyphenyl)carbamate
CID 86577810

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 3667051) is 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is CCCCOCC(O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is FRIGCLUXWZWQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-2-3-12-22-14-17(21)13-19-8-10-20(11-9-19)16-6-4-15(18)5-7-16/h4-7,17,21H,2-3,8-14H2,1H3.
What are the key properties of 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 310.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3667051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).