1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine

C25H36N2O2 — CID 171311115

IUPAC1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
SMILESCCOc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C25H36N2O2/c1-4-28-25-18-22(11-13-24(25)29-19-21-8-6-5-7-9-21)23(12-10-20(2)3)27-16-14-26-15-17-27/h5-9,11,13,18,20,23,26H,4,10,12,14-17,19H2,1-3H3/t23-/m1/s1
InChIKeyDVEDTSNVLSFZRH-HSZRJFAPSA-N
MW396.58 g/mol
LogP5.05
Rot. Bonds10

About 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine

1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine (PubChem CID 171311115) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
PubChem CID171311115
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
SMILESCCOc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C25H36N2O2/c1-4-28-25-18-22(11-13-24(25)29-19-21-8-6-5-7-9-21)23(12-10-20(2)3)27-16-14-26-15-17-27/h5-9,11,13,18,20,23,26H,4,10,12,14-17,19H2,1-3H3/t23-/m1/s1
InChIKeyDVEDTSNVLSFZRH-HSZRJFAPSA-N
XLogP5.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172152
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
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
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171280598
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3580291

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine (CID 171311115) is 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine is CCOc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine?
The InChIKey is DVEDTSNVLSFZRH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-4-28-25-18-22(11-13-24(25)29-19-21-8-6-5-7-9-21)23(12-10-20(2)3)27-16-14-26-15-17-27/h5-9,11,13,18,20,23,26H,4,10,12,14-17,19H2,1-3H3/t23-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine?
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine has a molecular weight of 396.58 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171311115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).