[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride

C18H25ClN4O2 — CID 119662498

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C18H24N4O2.ClH/c19-9-1-14-24-17-7-12-21(13-8-17)18(23)15-3-5-16(6-4-15)22-11-2-10-20-22;/h2-6,10-11,17H,1,7-9,12-14,19H2;1H
InChIKeyAEGFWHLJYYHAFX-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.26
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride (PubChem CID 119662498) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
PubChem CID119662498
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C18H24N4O2.ClH/c19-9-1-14-24-17-7-12-21(13-8-17)18(23)15-3-5-16(6-4-15)22-11-2-10-20-22;/h2-6,10-11,17H,1,7-9,12-14,19H2;1H
InChIKeyAEGFWHLJYYHAFX-UHFFFAOYSA-N
XLogP2.26
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 119662578
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119664634
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
[4-(3-aminopropoxy)piperidin-1-yl]-(4-hydroxy-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119661589
[4-(3-aminopropoxy)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119662618
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119662115
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride (CID 119662498) is [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The InChIKey is AEGFWHLJYYHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c19-9-1-14-24-17-7-12-21(13-8-17)18(23)15-3-5-16(6-4-15)22-11-2-10-20-22;/h2-6,10-11,17H,1,7-9,12-14,19H2;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119662498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).