[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone

C12H17N3O — CID 21221047

IUPAC[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESNCC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C12H17N3O/c13-9-10-4-7-15(8-5-10)12(16)11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9,13H2
InChIKeyUFSKAZDMUIBZCR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone

[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 21221047) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID21221047
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESNCC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C12H17N3O/c13-9-10-4-7-15(8-5-10)12(16)11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9,13H2
InChIKeyUFSKAZDMUIBZCR-UHFFFAOYSA-N
XLogP0.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 21221047) is [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone is NCC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UFSKAZDMUIBZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-9-10-4-7-15(8-5-10)12(16)11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9,13H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 219.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 21221047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).