[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C13H19N3O — CID 61204344

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNCC1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H19N3O/c1-14-9-11-3-2-8-16(10-11)13(17)12-4-6-15-7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKeyRFCIMCOZAYVWGS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.15
Rot. Bonds3

About [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 61204344) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID61204344
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNCC1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H19N3O/c1-14-9-11-3-2-8-16(10-11)13(17)12-4-6-15-7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKeyRFCIMCOZAYVWGS-UHFFFAOYSA-N
XLogP1.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide
CID 119542236
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119397639
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 61204344) is [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone is CNCC1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is RFCIMCOZAYVWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-9-11-3-2-8-16(10-11)13(17)12-4-6-15-7-5-12/h4-7,11,14H,2-3,8-10H2,1H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 61204344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).