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

C17H29N3O — CID 62289099

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCCN(c2cc(CNC(C)(C)C)ccn2)C1
InChIInChI=1S/C17H29N3O/c1-5-21-15-7-6-10-20(13-15)16-11-14(8-9-18-16)12-19-17(2,3)4/h8-9,11,15,19H,5-7,10,12-13H2,1-4H3
InChIKeyUKSBCHRKXVRMQS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.97
Rot. Bonds5

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

N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62289099) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62289099
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCCN(c2cc(CNC(C)(C)C)ccn2)C1
InChIInChI=1S/C17H29N3O/c1-5-21-15-7-6-10-20(13-15)16-11-14(8-9-18-16)12-19-17(2,3)4/h8-9,11,15,19H,5-7,10,12-13H2,1-4H3
InChIKeyUKSBCHRKXVRMQS-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide
CID 54990298
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63619592
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589213
N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62289099) is N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CCOC1CCCN(c2cc(CNC(C)(C)C)ccn2)C1.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UKSBCHRKXVRMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-21-15-7-6-10-20(13-15)16-11-14(8-9-18-16)12-19-17(2,3)4/h8-9,11,15,19H,5-7,10,12-13H2,1-4H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62289099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).