4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol

C14H30N2O2 — CID 102968930

IUPAC4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCCC(OC)C1
InChIInChI=1S/C14H30N2O2/c1-4-8-15-14(2,12-17)7-10-16-9-5-6-13(11-16)18-3/h13,15,17H,4-12H2,1-3H3
InChIKeyOVXOXZTZIGGFLB-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds8

About 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol

4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 102968930) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID102968930
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCCC(OC)C1
InChIInChI=1S/C14H30N2O2/c1-4-8-15-14(2,12-17)7-10-16-9-5-6-13(11-16)18-3/h13,15,17H,4-12H2,1-3H3
InChIKeyOVXOXZTZIGGFLB-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 106809926
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol (CID 102968930) is 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN1CCCC(OC)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is OVXOXZTZIGGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-8-15-14(2,12-17)7-10-16-9-5-6-13(11-16)18-3/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol?
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 102968930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).