(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol

C22H30N2O3 — CID 159443528

IUPAC(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
SMILESCOc1ccc(CCc2ccccc2OC[C@H](O)CN2CCNCC2)cc1
InChIInChI=1S/C22H30N2O3/c1-26-21-10-7-18(8-11-21)6-9-19-4-2-3-5-22(19)27-17-20(25)16-24-14-12-23-13-15-24/h2-5,7-8,10-11,20,23,25H,6,9,12-17H2,1H3/t20-/m1/s1
InChIKeyHTCJZSUUPKLDTL-HXUWFJFHSA-N
MW370.49 g/mol
LogP2.13
Rot. Bonds9

About (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol

(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol (PubChem CID 159443528) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
PubChem CID159443528
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
SMILESCOc1ccc(CCc2ccccc2OC[C@H](O)CN2CCNCC2)cc1
InChIInChI=1S/C22H30N2O3/c1-26-21-10-7-18(8-11-21)6-9-19-4-2-3-5-22(19)27-17-20(25)16-24-14-12-23-13-15-24/h2-5,7-8,10-11,20,23,25H,6,9,12-17H2,1H3/t20-/m1/s1
InChIKeyHTCJZSUUPKLDTL-HXUWFJFHSA-N
XLogP2.13
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 158523220
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 157064846
1-[2-[4-(4-methoxyphenyl)butyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 19423948
3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
CID 167610918
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol (CID 159443528) is (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol is COc1ccc(CCc2ccccc2OC[C@H](O)CN2CCNCC2)cc1.
What is the InChIKey of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is HTCJZSUUPKLDTL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-26-21-10-7-18(8-11-21)6-9-19-4-2-3-5-22(19)27-17-20(25)16-24-14-12-23-13-15-24/h2-5,7-8,10-11,20,23,25H,6,9,12-17H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol?
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 370.49 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 159443528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).