(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate

C18H21FN4O2 — CID 10154543

IUPAC(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccc(F)cc1)N1CCC(CNc2ccnnc2)CC1
InChIInChI=1S/C18H21FN4O2/c19-16-3-1-15(2-4-16)13-25-18(24)23-9-6-14(7-10-23)11-20-17-5-8-21-22-12-17/h1-5,8,12,14H,6-7,9-11,13H2,(H,20,21)
InChIKeyYBGWTKMFWGDCNJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.08
Rot. Bonds5

About (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate

(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 10154543) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate
PubChem CID10154543
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccc(F)cc1)N1CCC(CNc2ccnnc2)CC1
InChIInChI=1S/C18H21FN4O2/c19-16-3-1-15(2-4-16)13-25-18(24)23-9-6-14(7-10-23)11-20-17-5-8-21-22-12-17/h1-5,8,12,14H,6-7,9-11,13H2,(H,20,21)
InChIKeyYBGWTKMFWGDCNJ-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9858476
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CID 134543455
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CID 134543988
CID 134543988
CID 146028968
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CID 9902673
CID 9902673
CID 10291144
CID 10291144
CID 46928460
CID 46928460
CID 91144272
CID 91144272
CID 132158805
CID 132158805
CID 134542812
CID 134542812
CID 134543457
CID 134543457
CID 134543662
CID 134543662

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate (CID 10154543) is (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate is O=C(OCc1ccc(F)cc1)N1CCC(CNc2ccnnc2)CC1.
What is the InChIKey of (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is YBGWTKMFWGDCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-16-3-1-15(2-4-16)13-25-18(24)23-9-6-14(7-10-23)11-20-17-5-8-21-22-12-17/h1-5,8,12,14H,6-7,9-11,13H2,(H,20,21).
What are the key properties of (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate?
(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10154543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).