[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol

C14H27NO3 — CID 63971822

IUPAC[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
SMILESCOCC1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C14H27NO3/c1-17-10-13-2-6-15(7-3-13)11-14(12-16)4-8-18-9-5-14/h13,16H,2-12H2,1H3
InChIKeySOAFJBPMMSFORY-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.13
Rot. Bonds5

About [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol

[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol (PubChem CID 63971822) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
PubChem CID63971822
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
SMILESCOCC1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C14H27NO3/c1-17-10-13-2-6-15(7-3-13)11-14(12-16)4-8-18-9-5-14/h13,16H,2-12H2,1H3
InChIKeySOAFJBPMMSFORY-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol (CID 63971822) is [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol is COCC1CCN(CC2(CO)CCOCC2)CC1.
What is the InChIKey of [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol?
The InChIKey is SOAFJBPMMSFORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-17-10-13-2-6-15(7-3-13)11-14(12-16)4-8-18-9-5-14/h13,16H,2-12H2,1H3.
What are the key properties of [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol?
[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 63971822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).