[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride

C18H25ClN4O2 — CID 119436927

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)N3CCCCC3C(C)N)n2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13(19)17-5-3-4-11-21(17)18(23)16-10-12-22(20-16)14-6-8-15(24-2)9-7-14;/h6-10,12-13,17H,3-5,11,19H2,1-2H3;1H
InChIKeyPPXKSCYOTIGQOS-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.64
Rot. Bonds4

About [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride (PubChem CID 119436927) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
PubChem CID119436927
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)N3CCCCC3C(C)N)n2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13(19)17-5-3-4-11-21(17)18(23)16-10-12-22(20-16)14-6-8-15(24-2)9-7-14;/h6-10,12-13,17H,3-5,11,19H2,1-2H3;1H
InChIKeyPPXKSCYOTIGQOS-UHFFFAOYSA-N
XLogP2.64
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119435117
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
[2-(1-aminoethyl)piperidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone
CID 119437734
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124689358
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 111429739
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 71877262
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 125150672
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119436087

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride (CID 119436927) is [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride is COc1ccc(-n2ccc(C(=O)N3CCCCC3C(C)N)n2)cc1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The InChIKey is PPXKSCYOTIGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-13(19)17-5-3-4-11-21(17)18(23)16-10-12-22(20-16)14-6-8-15(24-2)9-7-14;/h6-10,12-13,17H,3-5,11,19H2,1-2H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.64, 4 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]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119436927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).