[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride

C14H23ClN4O — CID 119434902

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-9(15)13-4-2-3-7-18(13)14(19)12-8-11(16-17-12)10-5-6-10;/h8-10,13H,2-7,15H2,1H3,(H,16,17);1H
InChIKeyKYJHLTJPTNECOT-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.05
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride (PubChem CID 119434902) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
PubChem CID119434902
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-9(15)13-4-2-3-7-18(13)14(19)12-8-11(16-17-12)10-5-6-10;/h8-10,13H,2-7,15H2,1H3,(H,16,17);1H
InChIKeyKYJHLTJPTNECOT-UHFFFAOYSA-N
XLogP2.05
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104671402
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
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[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
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3-amino-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578135
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
[2-(1-aminoethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
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[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 125150672
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119435236

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride (CID 119434902) is [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride is CC(N)C1CCCCN1C(=O)c1cc(C2CC2)[nH]n1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
The InChIKey is KYJHLTJPTNECOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-9(15)13-4-2-3-7-18(13)14(19)12-8-11(16-17-12)10-5-6-10;/h8-10,13H,2-7,15H2,1H3,(H,16,17);1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119434902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).