2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H35NO2 — CID 106588489

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N2CCCC(COC)C2)C1
InChIInChI=1S/C18H35NO2/c1-5-18(2,3)15-8-9-17(20)16(11-15)19-10-6-7-14(12-19)13-21-4/h14-17,20H,5-13H2,1-4H3
InChIKeyQWQXGDDNVXNONR-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.31
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 106588489) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID106588489
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N2CCCC(COC)C2)C1
InChIInChI=1S/C18H35NO2/c1-5-18(2,3)15-8-9-17(20)16(11-15)19-10-6-7-14(12-19)13-21-4/h14-17,20H,5-13H2,1-4H3
InChIKeyQWQXGDDNVXNONR-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 106588489) is 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(N2CCCC(COC)C2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is QWQXGDDNVXNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-18(2,3)15-8-9-17(20)16(11-15)19-10-6-7-14(12-19)13-21-4/h14-17,20H,5-13H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 297.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 106588489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).