1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol

C14H29NO2 — CID 114229274

IUPAC1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol
SMILESCOC(C)(C)C(O)CCN1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO2/c1-11-6-8-15(10-12(11)2)9-7-13(16)14(3,4)17-5/h11-13,16H,6-10H2,1-5H3
InChIKeyAHAPQJNFFHSDKG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds5

About 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol

1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol (PubChem CID 114229274) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol
PubChem CID114229274
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol
SMILESCOC(C)(C)C(O)CCN1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO2/c1-11-6-8-15(10-12(11)2)9-7-13(16)14(3,4)17-5/h11-13,16H,6-10H2,1-5H3
InChIKeyAHAPQJNFFHSDKG-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229256
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229275
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 114228775
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol?
The IUPAC name of 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol (CID 114229274) is 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol.
What is the SMILES notation for 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol?
The canonical SMILES for 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol is COC(C)(C)C(O)CCN1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol?
The InChIKey is AHAPQJNFFHSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11-6-8-15(10-12(11)2)9-7-13(16)14(3,4)17-5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol?
1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol is sourced from PubChem (CID 114229274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).