[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol

C14H27NO2 — CID 55067010

IUPAC[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol
SMILESCC1CCN(CC2(CO)CCOCC2)C(C)C1
InChIInChI=1S/C14H27NO2/c1-12-3-6-15(13(2)9-12)10-14(11-16)4-7-17-8-5-14/h12-13,16H,3-11H2,1-2H3
InChIKeyVCHJRMRGFNSLHM-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds3

About [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol

[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol (PubChem CID 55067010) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol
PubChem CID55067010
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol
SMILESCC1CCN(CC2(CO)CCOCC2)C(C)C1
InChIInChI=1S/C14H27NO2/c1-12-3-6-15(13(2)9-12)10-14(11-16)4-7-17-8-5-14/h12-13,16H,3-11H2,1-2H3
InChIKeyVCHJRMRGFNSLHM-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol (CID 55067010) is [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol is CC1CCN(CC2(CO)CCOCC2)C(C)C1.
What is the InChIKey of [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
The InChIKey is VCHJRMRGFNSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-3-6-15(13(2)9-12)10-14(11-16)4-7-17-8-5-14/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 55067010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).