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

C16H23Cl2N5O — CID 119436087

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cccc(-n2cccn2)n1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-12(17)14-7-2-3-10-20(14)16(22)13-6-4-8-15(19-13)21-11-5-9-18-21;;/h4-6,8-9,11-12,14H,2-3,7,10,17H2,1H3;2*1H
InChIKeyHLCCTNIYAPKROH-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.45
Rot. Bonds3

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

[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride (PubChem CID 119436087) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
PubChem CID119436087
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cccc(-n2cccn2)n1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-12(17)14-7-2-3-10-20(14)16(22)13-6-4-8-15(19-13)21-11-5-9-18-21;;/h4-6,8-9,11-12,14H,2-3,7,10,17H2,1H3;2*1H
InChIKeyHLCCTNIYAPKROH-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 119436088
[4-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119518849
[3-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119594758
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone;hydrochloride
CID 119436366
[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 97249417
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
(4aR,8aR)-4-(6-pyrazol-1-ylpyridine-2-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97078533
1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349450
[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119435711
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride (CID 119436087) is [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride is CC(N)C1CCCCN1C(=O)c1cccc(-n2cccn2)n1.Cl.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is HLCCTNIYAPKROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-12(17)14-7-2-3-10-20(14)16(22)13-6-4-8-15(19-13)21-11-5-9-18-21;;/h4-6,8-9,11-12,14H,2-3,7,10,17H2,1H3;2*1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119436087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).