N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C17H29N3O — CID 107395279

IUPACN-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOC1(C)CCCN(c2cnccc2CNC(C)(C)C)C1
InChIInChI=1S/C17H29N3O/c1-16(2,3)19-11-14-7-9-18-12-15(14)20-10-6-8-17(4,13-20)21-5/h7,9,12,19H,6,8,10-11,13H2,1-5H3
InChIKeyLKXASZILOQVQKP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.97
Rot. Bonds4

About N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 107395279) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID107395279
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOC1(C)CCCN(c2cnccc2CNC(C)(C)C)C1
InChIInChI=1S/C17H29N3O/c1-16(2,3)19-11-14-7-9-18-12-15(14)20-10-6-8-17(4,13-20)21-5/h7,9,12,19H,6,8,10-11,13H2,1-5H3
InChIKeyLKXASZILOQVQKP-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4,4-dimethylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074072
2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 105072830
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107395922
N-[[5-(3-methoxy-3-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 107396649
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074010
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074354
3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394384
2-methyl-N-[[4-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248241
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073916
2-methyl-N-[[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105074737

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 107395279) is N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is COC1(C)CCCN(c2cnccc2CNC(C)(C)C)C1.
What is the InChIKey of N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LKXASZILOQVQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2,3)19-11-14-7-9-18-12-15(14)20-10-6-8-17(4,13-20)21-5/h7,9,12,19H,6,8,10-11,13H2,1-5H3.
What are the key properties of N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107395279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).