(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine

C8H12F2N4 — CID 175178128

IUPAC(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine
SMILESN[C@H]1CN(c2ccn[nH]2)CC(F)(F)C1
InChIInChI=1S/C8H12F2N4/c9-8(10)3-6(11)4-14(5-8)7-1-2-12-13-7/h1-2,6H,3-5,11H2,(H,12,13)/t6-/m1/s1
InChIKeyMMNVEMPPHKRKAU-ZCFIWIBFSA-N
MW202.21 g/mol
LogP0.58
Rot. Bonds1

About (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine

(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine (PubChem CID 175178128) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine
PubChem CID175178128
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine
SMILESN[C@H]1CN(c2ccn[nH]2)CC(F)(F)C1
InChIInChI=1S/C8H12F2N4/c9-8(10)3-6(11)4-14(5-8)7-1-2-12-13-7/h1-2,6H,3-5,11H2,(H,12,13)/t6-/m1/s1
InChIKeyMMNVEMPPHKRKAU-ZCFIWIBFSA-N
XLogP0.58
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine?
The IUPAC name of (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine (CID 175178128) is (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine?
The canonical SMILES for (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine is N[C@H]1CN(c2ccn[nH]2)CC(F)(F)C1.
What is the InChIKey of (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine?
The InChIKey is MMNVEMPPHKRKAU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)3-6(11)4-14(5-8)7-1-2-12-13-7/h1-2,6H,3-5,11H2,(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine?
(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine has a molecular weight of 202.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 175178128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).