N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

C15H25N3O2 — CID 103172390

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCOc1ccnc(CNCC2CCCCN2C)c1OC
InChIInChI=1S/C15H25N3O2/c1-18-9-5-4-6-12(18)10-16-11-13-15(20-3)14(19-2)7-8-17-13/h7-8,12,16H,4-6,9-11H2,1-3H3
InChIKeyHICBIVPJIMAFKD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.67
Rot. Bonds6

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (PubChem CID 103172390) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
PubChem CID103172390
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCOc1ccnc(CNCC2CCCCN2C)c1OC
InChIInChI=1S/C15H25N3O2/c1-18-9-5-4-6-12(18)10-16-11-13-15(20-3)14(19-2)7-8-17-13/h7-8,12,16H,4-6,9-11H2,1-3H3
InChIKeyHICBIVPJIMAFKD-UHFFFAOYSA-N
XLogP1.67
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103173977
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895129
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161
1-(3,4-dimethoxy-2-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103172419
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 103172885
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106024171
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (CID 103172390) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is COc1ccnc(CNCC2CCCCN2C)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The InChIKey is HICBIVPJIMAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18-9-5-4-6-12(18)10-16-11-13-15(20-3)14(19-2)7-8-17-13/h7-8,12,16H,4-6,9-11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 103172390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).