3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine

C17H29NO6 — CID 175305150

IUPAC3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine
SMILESOCC(O)COOCC(O)CO.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C6H14O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-1-5(9)3-11-12-4-6(10)2-8/h1,3-4,7-8H,2,5-6,9-10H2;5-10H,1-4H2
InChIKeyHKLWHPRBCIZERZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.32
Rot. Bonds8

About 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine

3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine (PubChem CID 175305150) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine
PubChem CID175305150
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine
SMILESOCC(O)COOCC(O)CO.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C6H14O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-1-5(9)3-11-12-4-6(10)2-8/h1,3-4,7-8H,2,5-6,9-10H2;5-10H,1-4H2
InChIKeyHKLWHPRBCIZERZ-UHFFFAOYSA-N
XLogP0.32
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethane;methanol;1-phenylpiperidine
CID 177175072
ethoxyethane;1-phenylpiperidine
CID 174883082
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CID 161473217
1-phenylpiperidine;phosphenous acid
CID 174871848
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane
CID 154406169
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
ethyl formate;1-phenylpiperidine
CID 174893706
1-(1-ethynylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16876951

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine?
The IUPAC name of 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine (CID 175305150) is 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine.
What is the SMILES notation for 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine?
The canonical SMILES for 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine is OCC(O)COOCC(O)CO.c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine?
The InChIKey is HKLWHPRBCIZERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C6H14O6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-1-5(9)3-11-12-4-6(10)2-8/h1,3-4,7-8H,2,5-6,9-10H2;5-10H,1-4H2.
What are the key properties of 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine?
3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine has a molecular weight of 343.42 g/mol, XLogP of 0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylperoxy)propane-1,2-diol;1-phenylpiperidine is sourced from PubChem (CID 175305150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).