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

C13H25NO2 — CID 62391366

IUPAC[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
SMILESCC1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C13H25NO2/c1-12-2-6-14(7-3-12)10-13(11-15)4-8-16-9-5-13/h12,15H,2-11H2,1H3
InChIKeyPKHQDNOJVOBETR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds3

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

[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol (PubChem CID 62391366) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
PubChem CID62391366
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
SMILESCC1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C13H25NO2/c1-12-2-6-14(7-3-12)10-13(11-15)4-8-16-9-5-13/h12,15H,2-11H2,1H3
InChIKeyPKHQDNOJVOBETR-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62391983
[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
CID 63971822
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 55067010
N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391631
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388
1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol
CID 81115289
[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol
CID 65004548
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
CID 62392754
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol (CID 62391366) is [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol is CC1CCN(CC2(CO)CCOCC2)CC1.
What is the InChIKey of [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
The InChIKey is PKHQDNOJVOBETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12-2-6-14(7-3-12)10-13(11-15)4-8-16-9-5-13/h12,15H,2-11H2,1H3.
What are the key properties of [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol?
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 62391366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).