[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone

C14H20ClN3O — CID 103352115

IUPAC[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Cl)cn2)C(CN)C1
InChIInChI=1S/C14H20ClN3O/c1-2-10-5-6-18(12(7-10)8-16)14(19)13-4-3-11(15)9-17-13/h3-4,9-10,12H,2,5-8,16H2,1H3
InChIKeyMGNXGZIGXWQOFZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.32
Rot. Bonds3

About [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone (PubChem CID 103352115) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
PubChem CID103352115
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Cl)cn2)C(CN)C1
InChIInChI=1S/C14H20ClN3O/c1-2-10-5-6-18(12(7-10)8-16)14(19)13-4-3-11(15)9-17-13/h3-4,9-10,12H,2,5-8,16H2,1H3
InChIKeyMGNXGZIGXWQOFZ-UHFFFAOYSA-N
XLogP2.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 103352351
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
CID 103352294
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-bromo-2-fluorophenyl)methanone
CID 103352234
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103352408
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 103352434
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855238

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone (CID 103352115) is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone is CCC1CCN(C(=O)c2ccc(Cl)cn2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The InChIKey is MGNXGZIGXWQOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-10-5-6-18(12(7-10)8-16)14(19)13-4-3-11(15)9-17-13/h3-4,9-10,12H,2,5-8,16H2,1H3.
What are the key properties of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 103352115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).