[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol

C14H27NO3 — CID 102967531

IUPAC[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
SMILESCOC1CN(CC2(CO)CCCOC2)CCC1C
InChIInChI=1S/C14H27NO3/c1-12-4-6-15(8-13(12)17-2)9-14(10-16)5-3-7-18-11-14/h12-13,16H,3-11H2,1-2H3
InChIKeyPWZFPXDZIOVHSR-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.13
Rot. Bonds4

About [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol

[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol (PubChem CID 102967531) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
PubChem CID102967531
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
SMILESCOC1CN(CC2(CO)CCCOC2)CCC1C
InChIInChI=1S/C14H27NO3/c1-12-4-6-15(8-13(12)17-2)9-14(10-16)5-3-7-18-11-14/h12-13,16H,3-11H2,1-2H3
InChIKeyPWZFPXDZIOVHSR-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
CID 102967517
1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
CID 63746761
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
CID 102964345
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol (CID 102967531) is [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol is COC1CN(CC2(CO)CCCOC2)CCC1C.
What is the InChIKey of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol?
The InChIKey is PWZFPXDZIOVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12-4-6-15(8-13(12)17-2)9-14(10-16)5-3-7-18-11-14/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol?
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol is sourced from PubChem (CID 102967531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).