1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine

C19H24N2O2 — CID 67898623

IUPAC1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine
SMILESCC(OCc1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H24N2O2/c1-16(21-12-10-20-11-13-21)22-15-17-6-5-9-19(14-17)23-18-7-3-2-4-8-18/h2-9,14,16,20H,10-13,15H2,1H3
InChIKeyAQAQLICJZXLCQB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.25
Rot. Bonds6

About 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine

1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine (PubChem CID 67898623) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine
PubChem CID67898623
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine
SMILESCC(OCc1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H24N2O2/c1-16(21-12-10-20-11-13-21)22-15-17-6-5-9-19(14-17)23-18-7-3-2-4-8-18/h2-9,14,16,20H,10-13,15H2,1H3
InChIKeyAQAQLICJZXLCQB-UHFFFAOYSA-N
XLogP3.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2-methyl-1-(3-phenoxyphenyl)butyl]piperazine
CID 171305102
3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83951681
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
(3R)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306611
(3S)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305866
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
CID 171286987
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638
1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4209261
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine (CID 67898623) is 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine is CC(OCc1cccc(Oc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine?
The InChIKey is AQAQLICJZXLCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-16(21-12-10-20-11-13-21)22-15-17-6-5-9-19(14-17)23-18-7-3-2-4-8-18/h2-9,14,16,20H,10-13,15H2,1H3.
What are the key properties of 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine?
1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine has a molecular weight of 312.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 67898623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).