1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol

C15H29NO2 — CID 81115289

IUPAC1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol
SMILESCC1CCC(CO)(CN2CCC(C)(O)CC2)CC1
InChIInChI=1S/C15H29NO2/c1-13-3-5-15(12-17,6-4-13)11-16-9-7-14(2,18)8-10-16/h13,17-18H,3-12H2,1-2H3
InChIKeyNWPMYCWQVBKRAL-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.02
Rot. Bonds3

About 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol

1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol (PubChem CID 81115289) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol
PubChem CID81115289
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol
SMILESCC1CCC(CO)(CN2CCC(C)(O)CC2)CC1
InChIInChI=1S/C15H29NO2/c1-13-3-5-15(12-17,6-4-13)11-16-9-7-14(2,18)8-10-16/h13,17-18H,3-12H2,1-2H3
InChIKeyNWPMYCWQVBKRAL-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol
CID 107408681
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107504
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexyl]methanol
CID 79925342
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
CID 103358661
[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol
CID 81470151
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol
CID 102728346
[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol (CID 81115289) is 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol is CC1CCC(CO)(CN2CCC(C)(O)CC2)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is NWPMYCWQVBKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13-3-5-15(12-17,6-4-13)11-16-9-7-14(2,18)8-10-16/h13,17-18H,3-12H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol?
1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 255.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81115289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).