2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine

C15H25N3O — CID 102968328

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOC1CN(CCNCc2cccnc2)CCC1C
InChIInChI=1S/C15H25N3O/c1-13-5-8-18(12-15(13)19-2)9-7-17-11-14-4-3-6-16-10-14/h3-4,6,10,13,15,17H,5,7-9,11-12H2,1-2H3
InChIKeyIPEKNCSJKRJRBJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.53
Rot. Bonds6

About 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 102968328) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID102968328
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOC1CN(CCNCc2cccnc2)CCC1C
InChIInChI=1S/C15H25N3O/c1-13-5-8-18(12-15(13)19-2)9-7-17-11-14-4-3-6-16-10-14/h3-4,6,10,13,15,17H,5,7-9,11-12H2,1-2H3
InChIKeyIPEKNCSJKRJRBJ-UHFFFAOYSA-N
XLogP1.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 79920744
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
4-[4-[2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]aniline
CID 172594310
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 102967603
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 64580821
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 102968328) is 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine is COC1CN(CCNCc2cccnc2)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is IPEKNCSJKRJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-5-8-18(12-15(13)19-2)9-7-17-11-14-4-3-6-16-10-14/h3-4,6,10,13,15,17H,5,7-9,11-12H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 102968328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).