3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol

C9H19NO3 — CID 114451767

IUPAC3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol
SMILESCOCC(O)CC1CNCCC1O
InChIInChI=1S/C9H19NO3/c1-13-6-8(11)4-7-5-10-3-2-9(7)12/h7-12H,2-6H2,1H3
InChIKeyLDNLNTXALVPWKW-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.65
Rot. Bonds4

About 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol

3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol (PubChem CID 114451767) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol
PubChem CID114451767
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol
SMILESCOCC(O)CC1CNCCC1O
InChIInChI=1S/C9H19NO3/c1-13-6-8(11)4-7-5-10-3-2-9(7)12/h7-12H,2-6H2,1H3
InChIKeyLDNLNTXALVPWKW-UHFFFAOYSA-N
XLogP-0.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxypropyl)piperidin-4-ol
CID 114451812
(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
CID 93495959
(3R,4R)-3-(2-methylpropyl)piperidin-4-ol
CID 93495960
ethane;3-(2-methylpropyl)piperidin-4-ol
CID 143575873
3-(3-hydroxy-2-methylpropyl)piperidin-4-ol
CID 114451948
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114451772
3-[2-(4-methoxyphenoxy)ethyl]piperidin-4-ol
CID 114451831
3-[2-(2-hydroxyethoxy)ethyl]piperidin-4-ol
CID 114451802
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393768
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
1-methoxy-3-[methyl(piperidin-3-ylmethyl)amino]propan-2-ol
CID 80554421

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol?
The IUPAC name of 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol (CID 114451767) is 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol.
What is the SMILES notation for 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol?
The canonical SMILES for 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol is COCC(O)CC1CNCCC1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol?
The InChIKey is LDNLNTXALVPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-13-6-8(11)4-7-5-10-3-2-9(7)12/h7-12H,2-6H2,1H3.
What are the key properties of 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol?
3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol has a molecular weight of 189.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol is sourced from PubChem (CID 114451767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).