1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol

C19H28N4O2 — CID 110929429

IUPAC1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
SMILESCOc1ccc(-c2[nH]ncc2CNCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-25-18-5-3-15(4-6-18)19-16(14-21-22-19)13-20-9-2-10-23-11-7-17(24)8-12-23/h3-6,14,17,20,24H,2,7-13H2,1H3,(H,21,22)
InChIKeyIODVEBVEFBTQPC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.02
Rot. Bonds8

About 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol

1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol (PubChem CID 110929429) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
PubChem CID110929429
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
SMILESCOc1ccc(-c2[nH]ncc2CNCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-25-18-5-3-15(4-6-18)19-16(14-21-22-19)13-20-9-2-10-23-11-7-17(24)8-12-23/h3-6,14,17,20,24H,2,7-13H2,1H3,(H,21,22)
InChIKeyIODVEBVEFBTQPC-UHFFFAOYSA-N
XLogP2.02
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol (CID 110929429) is 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol is COc1ccc(-c2[nH]ncc2CNCCCN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol?
The InChIKey is IODVEBVEFBTQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-25-18-5-3-15(4-6-18)19-16(14-21-22-19)13-20-9-2-10-23-11-7-17(24)8-12-23/h3-6,14,17,20,24H,2,7-13H2,1H3,(H,21,22).
What are the key properties of 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol?
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol has a molecular weight of 344.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 110929429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).