[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C16H20N4O — CID 119467259

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H20N4O/c17-12-15-4-1-2-10-19(15)16(21)13-5-7-14(8-6-13)20-11-3-9-18-20/h3,5-9,11,15H,1-2,4,10,12,17H2
InChIKeyHFEJSIVCMUSBQM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 119467259) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID119467259
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H20N4O/c17-12-15-4-1-2-10-19(15)16(21)13-5-7-14(8-6-13)20-11-3-9-18-20/h3,5-9,11,15H,1-2,4,10,12,17H2
InChIKeyHFEJSIVCMUSBQM-UHFFFAOYSA-N
XLogP1.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119467085
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 119634488

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 119467259) is [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is NCC1CCCCN1C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is HFEJSIVCMUSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-12-15-4-1-2-10-19(15)16(21)13-5-7-14(8-6-13)20-11-3-9-18-20/h3,5-9,11,15H,1-2,4,10,12,17H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 119467259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).