1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol

C15H31NO2 — CID 114228753

IUPAC1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCCC1(CC)CCN(CC(O)C(C)(C)OC)CC1
InChIInChI=1S/C15H31NO2/c1-6-15(7-2)8-10-16(11-9-15)12-13(17)14(3,4)18-5/h13,17H,6-12H2,1-5H3
InChIKeyWDKBRHAZXQYTAM-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.67
Rot. Bonds6

About 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol

1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 114228753) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol
PubChem CID114228753
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCCC1(CC)CCN(CC(O)C(C)(C)OC)CC1
InChIInChI=1S/C15H31NO2/c1-6-15(7-2)8-10-16(11-9-15)12-13(17)14(3,4)18-5/h13,17H,6-12H2,1-5H3
InChIKeyWDKBRHAZXQYTAM-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methoxy-1-methylpiperidin-4-yl)methanol hydrochloride
CID 155820041
1-(Tert-butoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593245
1-(Tert-butoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593246
1-(3-Methyl-1-piperidyl)-3-(tert-pentyloxy)-2-propanol
CID 44117052
1-(3-Methylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 45283610
3-(Tert-butoxy)-1-piperidylpropan-2-ol
CID 16456248
1-(2-Ethyl-2-hydroxybutyl)piperidin-4-ol
CID 75447211
1-Methyl-4-methoxy-piperidine-4-methanol
CID 53399407
(2S)-1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 172367310
(2S)-1-[(8R)-8-fluoro-6-azaspiro[2.5]octan-6-yl]-3-methoxypropan-2-ol
CID 172367792
2-Propanol, 1-methoxy-3-(1-piperidyl)-
CID 566986
4-(1-Hydroxyethyl)-4-methoxy-1-(2-ethoxyethyl)-piperidine
CID 12143040

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol (CID 114228753) is 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol is CCC1(CC)CCN(CC(O)C(C)(C)OC)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is WDKBRHAZXQYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-15(7-2)8-10-16(11-9-15)12-13(17)14(3,4)18-5/h13,17H,6-12H2,1-5H3.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol?
1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 114228753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).