[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C14H21N3O — CID 80552437

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCNCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-15-11-12-5-9-17(10-6-12)14(18)13-3-7-16-8-4-13/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyMWFAGFZQQIMDOD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds4

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

[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 80552437) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID80552437
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCNCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-15-11-12-5-9-17(10-6-12)14(18)13-3-7-16-8-4-13/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyMWFAGFZQQIMDOD-UHFFFAOYSA-N
XLogP1.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119648082
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 80552437) is [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone is CCNCC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is MWFAGFZQQIMDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-15-11-12-5-9-17(10-6-12)14(18)13-3-7-16-8-4-13/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 80552437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).