3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol

C13H28N2O2 — CID 64791193

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
SMILESCOCC1CCN(CC(CO)NC(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-13(9-16)8-15-6-4-12(5-7-15)10-17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyQGJVLSTYOMNKOM-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.70
Rot. Bonds7

About 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol

3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64791193) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64791193
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
SMILESCOCC1CCN(CC(CO)NC(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-13(9-16)8-15-6-4-12(5-7-15)10-17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyQGJVLSTYOMNKOM-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propan-1-ol
CID 64790398
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
CID 63972759
3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102968981
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
2-(cyclopropylamino)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 64811260
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64796609
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
3-(cyclopentylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 66323596

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol (CID 64791193) is 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol is COCC1CCN(CC(CO)NC(C)C)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is QGJVLSTYOMNKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)14-13(9-16)8-15-6-4-12(5-7-15)10-17-3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64791193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).