4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol

C12H23NO2 — CID 103898114

IUPAC4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
SMILESCC1CCN(CC2CCOCC2)CC1O
InChIInChI=1S/C12H23NO2/c1-10-2-5-13(9-12(10)14)8-11-3-6-15-7-4-11/h10-12,14H,2-9H2,1H3
InChIKeyXCMXPBDQECBHER-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds2

About 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol

4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol (PubChem CID 103898114) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
PubChem CID103898114
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
SMILESCC1CCN(CC2CCOCC2)CC1O
InChIInChI=1S/C12H23NO2/c1-10-2-5-13(9-12(10)14)8-11-3-6-15-7-4-11/h10-12,14H,2-9H2,1H3
InChIKeyXCMXPBDQECBHER-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol (CID 103898114) is 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol is CC1CCN(CC2CCOCC2)CC1O.
What is the InChIKey of 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
The InChIKey is XCMXPBDQECBHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-2-5-13(9-12(10)14)8-11-3-6-15-7-4-11/h10-12,14H,2-9H2,1H3.
What are the key properties of 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol?
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 103898114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).