1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C14H23N3O2 — CID 3774471

IUPAC1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N3O2/c1-2-19-12-13(18)11-16-7-9-17(10-8-16)14-5-3-4-6-15-14/h3-6,13,18H,2,7-12H2,1H3
InChIKeyLHWQQQTYXKKOPV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.60
Rot. Bonds6

About 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 3774471) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID3774471
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N3O2/c1-2-19-12-13(18)11-16-7-9-17(10-8-16)14-5-3-4-6-15-14/h3-6,13,18H,2,7-12H2,1H3
InChIKeyLHWQQQTYXKKOPV-UHFFFAOYSA-N
XLogP0.60
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689
(2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 9498976
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
(2S)-1-[2-(2-bromophenoxy)ethoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 30837239
1-[4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 1094949
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
(2S)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1315226
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dichloride
CID 21237902

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 3774471) is 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is CCOCC(O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is LHWQQQTYXKKOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-12-13(18)11-16-7-9-17(10-8-16)14-5-3-4-6-15-14/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 265.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3774471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).