1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol

C12H23NO2 — CID 104585530

IUPAC1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol
SMILESCC1(CN2CCC(O)CC2)CCOCC1
InChIInChI=1S/C12H23NO2/c1-12(4-8-15-9-5-12)10-13-6-2-11(14)3-7-13/h11,14H,2-10H2,1H3
InChIKeyPWFNXUPXAKFHFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds2

About 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol

1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol (PubChem CID 104585530) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol
PubChem CID104585530
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol
SMILESCC1(CN2CCC(O)CC2)CCOCC1
InChIInChI=1S/C12H23NO2/c1-12(4-8-15-9-5-12)10-13-6-2-11(14)3-7-13/h11,14H,2-10H2,1H3
InChIKeyPWFNXUPXAKFHFG-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol
CID 62390578
[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
CID 104585504
2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
CID 166141791
[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
CID 104585572
1-[(3-methyloxolan-3-yl)methyl]pyrrolidin-3-amine
CID 131219232
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
6,6-dimethyl-1-(oxan-4-yl)azepan-4-ol
CID 131910172
2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154905756
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 106131726
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol (CID 104585530) is 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol is CC1(CN2CCC(O)CC2)CCOCC1.
What is the InChIKey of 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol?
The InChIKey is PWFNXUPXAKFHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(4-8-15-9-5-12)10-13-6-2-11(14)3-7-13/h11,14H,2-10H2,1H3.
What are the key properties of 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol?
1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 104585530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).