1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol

C15H23ClN2O2 — CID 65448136

IUPAC1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESCCc1cc(OCC(O)CN2CCNCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-2-12-9-14(3-4-15(12)16)20-11-13(19)10-18-7-5-17-6-8-18/h3-4,9,13,17,19H,2,5-8,10-11H2,1H3
InChIKeyYGNTVPABZKXYDB-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.55
Rot. Bonds6

About 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol

1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448136) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
PubChem CID65448136
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESCCc1cc(OCC(O)CN2CCNCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-2-12-9-14(3-4-15(12)16)20-11-13(19)10-18-7-5-17-6-8-18/h3-4,9,13,17,19H,2,5-8,10-11H2,1H3
InChIKeyYGNTVPABZKXYDB-UHFFFAOYSA-N
XLogP1.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
CID 65449645
(2R)-1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 737301
1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2770406
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
(2R)-1-(4-chloro-3-ethylphenoxy)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-2-ol
CID 11178070
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
(2R)-1-(1,4-diazepan-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 95067042
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol (CID 65448136) is 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol is CCc1cc(OCC(O)CN2CCNCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is YGNTVPABZKXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-2-12-9-14(3-4-15(12)16)20-11-13(19)10-18-7-5-17-6-8-18/h3-4,9,13,17,19H,2,5-8,10-11H2,1H3.
What are the key properties of 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol?
1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 298.81 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).