1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol

C12H25NO3 — CID 167840500

IUPAC1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(C)CC1C(C)O
InChIInChI=1S/C12H25NO3/c1-9-4-5-13(7-11(15)8-16-3)12(6-9)10(2)14/h9-12,14-15H,4-8H2,1-3H3
InChIKeyKLTHRVLNECQDHU-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol

1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 167840500) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID167840500
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(C)CC1C(C)O
InChIInChI=1S/C12H25NO3/c1-9-4-5-13(7-11(15)8-16-3)12(6-9)10(2)14/h9-12,14-15H,4-8H2,1-3H3
InChIKeyKLTHRVLNECQDHU-UHFFFAOYSA-N
XLogP0.47
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 103442151
1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63931055
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
1-[4-methyl-1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849928
1-(2,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 62331770
N-(cyclobutylmethyl)-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
CID 86805342
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
CID 63930034
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992702
1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol (CID 167840500) is 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(C)CC1C(C)O.
What is the InChIKey of 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is KLTHRVLNECQDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9-4-5-13(7-11(15)8-16-3)12(6-9)10(2)14/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 167840500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).