3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol

C10H21NO2 — CID 114501859

IUPAC3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
SMILESCC(C)OCC1(O)CCNCC1C
InChIInChI=1S/C10H21NO2/c1-8(2)13-7-10(12)4-5-11-6-9(10)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyRXWSFIRBFDHPIC-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds3

About 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol

3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol (PubChem CID 114501859) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
PubChem CID114501859
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
SMILESCC(C)OCC1(O)CCNCC1C
InChIInChI=1S/C10H21NO2/c1-8(2)13-7-10(12)4-5-11-6-9(10)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyRXWSFIRBFDHPIC-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
CID 114502124
2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 79568097
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 105402809
4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid
CID 159694800
2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
CID 127015507
4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114501801
3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
CID 114501868
5-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 79321561
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
CID 114502131
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
CID 114501970
3-methyl-1-(propan-2-yloxymethyl)cyclopentan-1-ol
CID 79568095

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol?
The IUPAC name of 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol (CID 114501859) is 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol?
The canonical SMILES for 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol is CC(C)OCC1(O)CCNCC1C.
What is the InChIKey of 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol?
The InChIKey is RXWSFIRBFDHPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)13-7-10(12)4-5-11-6-9(10)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol?
3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol is sourced from PubChem (CID 114501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).