[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

C17H22N4O3 — CID 166239498

IUPAC[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(O)(CN)CC3)n2)cc1
InChIInChI=1S/C17H22N4O3/c1-24-14-4-2-13(3-5-14)21-9-6-15(19-21)16(22)20-10-7-17(23,12-18)8-11-20/h2-6,9,23H,7-8,10-12,18H2,1H3
InChIKeyUNBWOAKTGWKXHT-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.81
Rot. Bonds4

About [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (PubChem CID 166239498) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
PubChem CID166239498
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(O)(CN)CC3)n2)cc1
InChIInChI=1S/C17H22N4O3/c1-24-14-4-2-13(3-5-14)21-9-6-15(19-21)16(22)20-10-7-17(23,12-18)8-11-20/h2-6,9,23H,7-8,10-12,18H2,1H3
InChIKeyUNBWOAKTGWKXHT-UHFFFAOYSA-N
XLogP0.81
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (CID 166239498) is [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is COc1ccc(-n2ccc(C(=O)N3CCC(O)(CN)CC3)n2)cc1.
What is the InChIKey of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The InChIKey is UNBWOAKTGWKXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-24-14-4-2-13(3-5-14)21-9-6-15(19-21)16(22)20-10-7-17(23,12-18)8-11-20/h2-6,9,23H,7-8,10-12,18H2,1H3.
What are the key properties of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 166239498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).