3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol

C17H28N2O2 — CID 64790992

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCC(COC)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-18-17(14-20,16-6-4-3-5-7-16)13-19-10-8-15(9-11-19)12-21-2/h3-7,15,18,20H,8-14H2,1-2H3
InChIKeyRGEMVGUVCOXBRR-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.45
Rot. Bonds7

About 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol

3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64790992) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64790992
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCC(COC)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-18-17(14-20,16-6-4-3-5-7-16)13-19-10-8-15(9-11-19)12-21-2/h3-7,15,18,20H,8-14H2,1-2H3
InChIKeyRGEMVGUVCOXBRR-UHFFFAOYSA-N
XLogP1.45
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 64791191
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 64581191
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol (CID 64790992) is 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(CN1CCC(COC)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is RGEMVGUVCOXBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18-17(14-20,16-6-4-3-5-7-16)13-19-10-8-15(9-11-19)12-21-2/h3-7,15,18,20H,8-14H2,1-2H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol?
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 1.45, 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-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64790992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).