trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine

C16H24F3N5 — CID 71226770

IUPACtrans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C16H24F3N5/c17-16(18,19)15-21-8-12(9-22-15)24-7-3-4-11(10-24)23-14-6-2-1-5-13(14)20/h8-9,11,13-14,23H,1-7,10,20H2/t11-,13+,14+/m0/s1
InChIKeyDZFUAMVIEROSRJ-IACUBPJLSA-N
MW343.40 g/mol
LogP2.32
Rot. Bonds3

About trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine (PubChem CID 71226770) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine
PubChem CID71226770
Molecular FormulaC16H24F3N5
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC Nametrans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C16H24F3N5/c17-16(18,19)15-21-8-12(9-22-15)24-7-3-4-11(10-24)23-14-6-2-1-5-13(14)20/h8-9,11,13-14,23H,1-7,10,20H2/t11-,13+,14+/m0/s1
InChIKeyDZFUAMVIEROSRJ-IACUBPJLSA-N
XLogP2.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine (CID 71226770) is trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The InChIKey is DZFUAMVIEROSRJ-IACUBPJLSA-N. The full InChI is InChI=1S/C16H24F3N5/c17-16(18,19)15-21-8-12(9-22-15)24-7-3-4-11(10-24)23-14-6-2-1-5-13(14)20/h8-9,11,13-14,23H,1-7,10,20H2/t11-,13+,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine has a molecular weight of 343.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71226770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).