[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride

C16H23Cl2N5O — CID 119518849

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
SMILESCC(N)C1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-12(17)13-6-10-20(11-7-13)16(22)14-4-2-5-15(19-14)21-9-3-8-18-21;;/h2-5,8-9,12-13H,6-7,10-11,17H2,1H3;2*1H
InChIKeyULYUSQPAGXKCIE-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.31
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride (PubChem CID 119518849) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
PubChem CID119518849
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
SMILESCC(N)C1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-12(17)13-6-10-20(11-7-13)16(22)14-4-2-5-15(19-14)21-9-3-8-18-21;;/h2-5,8-9,12-13H,6-7,10-11,17H2,1H3;2*1H
InChIKeyULYUSQPAGXKCIE-UHFFFAOYSA-N
XLogP2.31
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119594758
1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349450
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119436087
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 119436088
(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 71993602
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride (CID 119518849) is [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride is CC(N)C1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1.Cl.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is ULYUSQPAGXKCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-12(17)13-6-10-20(11-7-13)16(22)14-4-2-5-15(19-14)21-9-3-8-18-21;;/h2-5,8-9,12-13H,6-7,10-11,17H2,1H3;2*1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119518849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).