4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine

C12H15ClF3N3 — CID 67957699

IUPAC4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(N2CCC(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C12H15ClF3N3/c13-8-5-9(17)10(18)6-11(8)19-3-1-7(2-4-19)12(14,15)16/h5-7H,1-4,17-18H2
InChIKeySUTYEVLVAOAUTD-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.28
Rot. Bonds1

About 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine

4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine (PubChem CID 67957699) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine
PubChem CID67957699
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(N2CCC(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C12H15ClF3N3/c13-8-5-9(17)10(18)6-11(8)19-3-1-7(2-4-19)12(14,15)16/h5-7H,1-4,17-18H2
InChIKeySUTYEVLVAOAUTD-UHFFFAOYSA-N
XLogP3.28
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine (CID 67957699) is 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine is Nc1cc(Cl)c(N2CCC(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine?
The InChIKey is SUTYEVLVAOAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c13-8-5-9(17)10(18)6-11(8)19-3-1-7(2-4-19)12(14,15)16/h5-7H,1-4,17-18H2.
What are the key properties of 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine?
4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine has a molecular weight of 293.72 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine is sourced from PubChem (CID 67957699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).