(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol

C9H19NO3 — CID 107226168

IUPAC(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
SMILESCOCC(O)CN1CCC[C@H](O)C1
InChIInChI=1S/C9H19NO3/c1-13-7-9(12)6-10-4-2-3-8(11)5-10/h8-9,11-12H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyFOCXEIATKDKFPX-IENPIDJESA-N
MW189.25 g/mol
LogP-0.55
Rot. Bonds4

About (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol

(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol (PubChem CID 107226168) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
PubChem CID107226168
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
SMILESCOCC(O)CN1CCC[C@H](O)C1
InChIInChI=1S/C9H19NO3/c1-13-7-9(12)6-10-4-2-3-8(11)5-10/h8-9,11-12H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyFOCXEIATKDKFPX-IENPIDJESA-N
XLogP-0.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
ethyl 3-hydroxy-4-(3-hydroxypiperidin-1-yl)butanoate
CID 82769218
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
CID 100848872
(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol
CID 98764196
1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
CID 4801613
(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
4-[2-hydroxy-3-(3-hydroxypiperidin-1-yl)propoxy]benzonitrile
CID 56809850
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol (CID 107226168) is (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol is COCC(O)CN1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol?
The InChIKey is FOCXEIATKDKFPX-IENPIDJESA-N. The full InChI is InChI=1S/C9H19NO3/c1-13-7-9(12)6-10-4-2-3-8(11)5-10/h8-9,11-12H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol?
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol has a molecular weight of 189.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol is sourced from PubChem (CID 107226168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).