1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol

C16H26N2O3 — CID 65449830

IUPAC1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
SMILESCCCOc1ccc(OCC(O)CN2CCNCC2)cc1
InChIInChI=1S/C16H26N2O3/c1-2-11-20-15-3-5-16(6-4-15)21-13-14(19)12-18-9-7-17-8-10-18/h3-6,14,17,19H,2,7-13H2,1H3
InChIKeyMHNKTFHIOBCEQZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.12
Rot. Bonds8

About 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol

1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol (PubChem CID 65449830) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
PubChem CID65449830
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
SMILESCCCOc1ccc(OCC(O)CN2CCNCC2)cc1
InChIInChI=1S/C16H26N2O3/c1-2-11-20-15-3-5-16(6-4-15)21-13-14(19)12-18-9-7-17-8-10-18/h3-6,14,17,19H,2,7-13H2,1H3
InChIKeyMHNKTFHIOBCEQZ-UHFFFAOYSA-N
XLogP1.12
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 65448136
1-[4-[2-(4-butoxy-3-methylphenyl)propan-2-yl]phenoxy]-3-piperazin-1-ylpropan-2-ol;ethane
CID 145119518
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
CID 65449645
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
(2R)-1-(1,4-diazepan-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 95067042
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol (CID 65449830) is 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol is CCCOc1ccc(OCC(O)CN2CCNCC2)cc1.
What is the InChIKey of 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol?
The InChIKey is MHNKTFHIOBCEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-11-20-15-3-5-16(6-4-15)21-13-14(19)12-18-9-7-17-8-10-18/h3-6,14,17,19H,2,7-13H2,1H3.
What are the key properties of 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol?
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol is sourced from PubChem (CID 65449830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).