1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine

C15H25N3 — CID 117020753

IUPAC1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccccn2)C(C)(C)C1
InChIInChI=1S/C15H25N3/c1-15(2)10-13(11-16-3)7-9-18(15)12-14-6-4-5-8-17-14/h4-6,8,13,16H,7,9-12H2,1-3H3
InChIKeyGRTPWTCSXICBLD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds4

About 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine

1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 117020753) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID117020753
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccccn2)C(C)(C)C1
InChIInChI=1S/C15H25N3/c1-15(2)10-13(11-16-3)7-9-18(15)12-14-6-4-5-8-17-14/h4-6,8,13,16H,7,9-12H2,1-3H3
InChIKeyGRTPWTCSXICBLD-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161
5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117023330
[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119545084
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119544074
2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile
CID 52933322
2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 84598131
5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117022584
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine (CID 117020753) is 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2ccccn2)C(C)(C)C1.
What is the InChIKey of 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is GRTPWTCSXICBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2)10-13(11-16-3)7-9-18(15)12-14-6-4-5-8-17-14/h4-6,8,13,16H,7,9-12H2,1-3H3.
What are the key properties of 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 117020753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).