1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride

C24H32ClN2O4- — CID 53314590

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride
SMILESC=CCc1cc(OC)ccc1OCC(O)CN1CCN(c2ccc(OC)cc2)CC1.[Cl-]
InChIInChI=1S/C24H32N2O4.ClH/c1-4-5-19-16-23(29-3)10-11-24(19)30-18-21(27)17-25-12-14-26(15-13-25)20-6-8-22(28-2)9-7-20;/h4,6-11,16,21,27H,1,5,12-15,17-18H2,2-3H3;1H/p-1
InChIKeyJRHFTLXUALPRNZ-UHFFFAOYSA-M
MW447.98 g/mol
LogP-0.00
Rot. Bonds10

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride (PubChem CID 53314590) has the molecular formula C24H32ClN2O4- and a molecular weight of 447.98 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride
PubChem CID53314590
Molecular FormulaC24H32ClN2O4-
Molecular Weight447.98 g/mol
Exact Mass447.21
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride
SMILESC=CCc1cc(OC)ccc1OCC(O)CN1CCN(c2ccc(OC)cc2)CC1.[Cl-]
InChIInChI=1S/C24H32N2O4.ClH/c1-4-5-19-16-23(29-3)10-11-24(19)30-18-21(27)17-25-12-14-26(15-13-25)20-6-8-22(28-2)9-7-20;/h4,6-11,16,21,27H,1,5,12-15,17-18H2,2-3H3;1H/p-1
InChIKeyJRHFTLXUALPRNZ-UHFFFAOYSA-M
XLogP-0.00
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.98
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 92946315
1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol
CID 3415675
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770383
1-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 6493504
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 55832405
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(1,2,3,4,5,6,7,8-octahydrophenanthren-9-yloxy)propan-2-ol
CID 54764163
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
CID 45283651
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride (CID 53314590) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride is C=CCc1cc(OC)ccc1OCC(O)CN1CCN(c2ccc(OC)cc2)CC1.[Cl-].
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride?
The InChIKey is JRHFTLXUALPRNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H32N2O4.ClH/c1-4-5-19-16-23(29-3)10-11-24(19)30-18-21(27)17-25-12-14-26(15-13-25)20-6-8-22(28-2)9-7-20;/h4,6-11,16,21,27H,1,5,12-15,17-18H2,2-3H3;1H/p-1.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride has a molecular weight of 447.98 g/mol, XLogP of -0.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 53314590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).