1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

C23H31FN2O5 — CID 2866603

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cc(COCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H31FN2O5/c1-28-21-12-17(13-22(29-2)23(21)30-3)15-31-16-20(27)14-25-8-10-26(11-9-25)19-6-4-18(24)5-7-19/h4-7,12-13,20,27H,8-11,14-16H2,1-3H3
InChIKeyCVQQQVSQTWWINM-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.55
Rot. Bonds10

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol (PubChem CID 2866603) has the molecular formula C23H31FN2O5 and a molecular weight of 434.51 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
PubChem CID2866603
Molecular FormulaC23H31FN2O5
Molecular Weight434.51 g/mol
Exact Mass434.22
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cc(COCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H31FN2O5/c1-28-21-12-17(13-22(29-2)23(21)30-3)15-31-16-20(27)14-25-8-10-26(11-9-25)19-6-4-18(24)5-7-19/h4-7,12-13,20,27H,8-11,14-16H2,1-3H3
InChIKeyCVQQQVSQTWWINM-UHFFFAOYSA-N
XLogP2.55
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
CID 21237473
(2S)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 34064926
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217443
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1364925
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
1-thiomorpholin-4-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol chloride
CID 21237646
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4636759
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 30930104

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol (CID 2866603) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol is COc1cc(COCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The InChIKey is CVQQQVSQTWWINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O5/c1-28-21-12-17(13-22(29-2)23(21)30-3)15-31-16-20(27)14-25-8-10-26(11-9-25)19-6-4-18(24)5-7-19/h4-7,12-13,20,27H,8-11,14-16H2,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol has a molecular weight of 434.51 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 2866603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).