N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine

C14H23F3N4 — CID 99838934

IUPACN-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H23F3N4/c1-11(2)18-6-9-20-7-3-4-12(10-20)21-8-5-13(19-21)14(15,16)17/h5,8,11-12,18H,3-4,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeySASSFSVFUNHTSP-GFCCVEGCSA-N
MW304.36 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine

N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine (PubChem CID 99838934) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
PubChem CID99838934
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H23F3N4/c1-11(2)18-6-9-20-7-3-4-12(10-20)21-8-5-13(19-21)14(15,16)17/h5,8,11-12,18H,3-4,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeySASSFSVFUNHTSP-GFCCVEGCSA-N
XLogP2.54
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine (CID 99838934) is N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine is CC(C)NCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine?
The InChIKey is SASSFSVFUNHTSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-11(2)18-6-9-20-7-3-4-12(10-20)21-8-5-13(19-21)14(15,16)17/h5,8,11-12,18H,3-4,6-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine?
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine has a molecular weight of 304.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 99838934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).