1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine

C14H22F2N4 — CID 139434588

IUPAC1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(C3CCC(F)(F)CC3)CC2)c1
InChIInChI=1S/C14H22F2N4/c15-14(16)5-1-12(2-6-14)19-7-3-13(4-8-19)20-10-11(17)9-18-20/h9-10,12-13H,1-8,17H2
InChIKeySSYAHMYDKIWIDO-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.68
Rot. Bonds2

About 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine

1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 139434588) has the molecular formula C14H22F2N4 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine
PubChem CID139434588
Molecular FormulaC14H22F2N4
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC Name1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(C3CCC(F)(F)CC3)CC2)c1
InChIInChI=1S/C14H22F2N4/c15-14(16)5-1-12(2-6-14)19-7-3-13(4-8-19)20-10-11(17)9-18-20/h9-10,12-13H,1-8,17H2
InChIKeySSYAHMYDKIWIDO-UHFFFAOYSA-N
XLogP2.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine (CID 139434588) is 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine is Nc1cnn(C2CCN(C3CCC(F)(F)CC3)CC2)c1.
What is the InChIKey of 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is SSYAHMYDKIWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4/c15-14(16)5-1-12(2-6-14)19-7-3-13(4-8-19)20-10-11(17)9-18-20/h9-10,12-13H,1-8,17H2.
What are the key properties of 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine?
1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 284.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 139434588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).