(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol

C22H30N2O3 — CID 171189208

IUPAC(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCCOc1cc([C@@H](CCO)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-2-26-22-16-19(20(10-15-25)24-13-11-23-12-14-24)8-9-21(22)27-17-18-6-4-3-5-7-18/h3-9,16,20,23,25H,2,10-15,17H2,1H3/t20-/m1/s1
InChIKeyGJXISSRZXKVMFF-HXUWFJFHSA-N
MW370.49 g/mol
LogP2.99
Rot. Bonds9

About (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol

(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 171189208) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID171189208
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCCOc1cc([C@@H](CCO)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-2-26-22-16-19(20(10-15-25)24-13-11-23-12-14-24)8-9-21(22)27-17-18-6-4-3-5-7-18/h3-9,16,20,23,25H,2,10-15,17H2,1H3/t20-/m1/s1
InChIKeyGJXISSRZXKVMFF-HXUWFJFHSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
CID 171311115
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172152
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3580291
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol (CID 171189208) is (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol is CCOc1cc([C@@H](CCO)N2CCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is GJXISSRZXKVMFF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-2-26-22-16-19(20(10-15-25)24-13-11-23-12-14-24)8-9-21(22)27-17-18-6-4-3-5-7-18/h3-9,16,20,23,25H,2,10-15,17H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 370.49 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 171189208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).