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

C13H25NO3 — CID 62391544

IUPAC[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
SMILESCOC1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C13H25NO3/c1-16-12-2-6-14(7-3-12)10-13(11-15)4-8-17-9-5-13/h12,15H,2-11H2,1H3
InChIKeyUZQUGRDWVHHUHT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds4

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

[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol (PubChem CID 62391544) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
PubChem CID62391544
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
SMILESCOC1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C13H25NO3/c1-16-12-2-6-14(7-3-12)10-13(11-15)4-8-17-9-5-13/h12,15H,2-11H2,1H3
InChIKeyUZQUGRDWVHHUHT-UHFFFAOYSA-N
XLogP0.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
CID 63971822
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388
4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391619
3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 55056174
2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498439
[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol
CID 65004548
[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol (CID 62391544) is [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol is COC1CCN(CC2(CO)CCOCC2)CC1.
What is the InChIKey of [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol?
The InChIKey is UZQUGRDWVHHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-12-2-6-14(7-3-12)10-13(11-15)4-8-17-9-5-13/h12,15H,2-11H2,1H3.
What are the key properties of [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol?
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 62391544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).