3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol

C17H27NO4 — CID 117100276

IUPAC3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol
SMILESCC(C)Oc1cc(C2CCCNC2)ccc1OCC(O)CO
InChIInChI=1S/C17H27NO4/c1-12(2)22-17-8-13(14-4-3-7-18-9-14)5-6-16(17)21-11-15(20)10-19/h5-6,8,12,14-15,18-20H,3-4,7,9-11H2,1-2H3
InChIKeyHZQAWJPCQKVHHY-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.67
Rot. Bonds7

About 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol

3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol (PubChem CID 117100276) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol
PubChem CID117100276
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol
SMILESCC(C)Oc1cc(C2CCCNC2)ccc1OCC(O)CO
InChIInChI=1S/C17H27NO4/c1-12(2)22-17-8-13(14-4-3-7-18-9-14)5-6-16(17)21-11-15(20)10-19/h5-6,8,12,14-15,18-20H,3-4,7,9-11H2,1-2H3
InChIKeyHZQAWJPCQKVHHY-UHFFFAOYSA-N
XLogP1.67
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one
CID 117100282
3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine
CID 117100267
2-(2-ethoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100260
(3S)-3-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]pyrrolidine
CID 175176896
4-(3-methyl-4-propan-2-yloxyphenyl)azepane
CID 82296050
2-(2-methoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100231
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
CID 82283172
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
CID 117100261
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol?
The IUPAC name of 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol (CID 117100276) is 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol is CC(C)Oc1cc(C2CCCNC2)ccc1OCC(O)CO.
What is the InChIKey of 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol?
The InChIKey is HZQAWJPCQKVHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-12(2)22-17-8-13(14-4-3-7-18-9-14)5-6-16(17)21-11-15(20)10-19/h5-6,8,12,14-15,18-20H,3-4,7,9-11H2,1-2H3.
What are the key properties of 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol?
3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol has a molecular weight of 309.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 117100276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).