4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine

C16H34N2O — CID 107395195

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H34N2O/c1-7-10-17-14(2)15(3,4)12-18-11-8-9-16(5,13-18)19-6/h14,17H,7-13H2,1-6H3
InChIKeyNDSRLZUFTARPIL-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds7

About 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine

4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 107395195) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID107395195
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H34N2O/c1-7-10-17-14(2)15(3,4)12-18-11-8-9-16(5,13-18)19-6/h14,17H,7-13H2,1-6H3
InChIKeyNDSRLZUFTARPIL-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 107395180
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160
4-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454747
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107395093
3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
CID 102745787
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 107395980
3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
CID 66453174

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine (CID 107395195) is 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(C)C(C)(C)CN1CCCC(C)(OC)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is NDSRLZUFTARPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-10-17-14(2)15(3,4)12-18-11-8-9-16(5,13-18)19-6/h14,17H,7-13H2,1-6H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine?
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 107395195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).