N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine

C23H22ClF3N4 — CID 56665724

IUPACN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)cn1
InChIInChI=1S/C23H22ClF3N4/c24-18-5-3-16(4-6-18)22(17-2-1-11-28-14-17)30-19-9-12-31(13-10-19)20-7-8-21(29-15-20)23(25,26)27/h1-8,11,14-15,19,22,30H,9-10,12-13H2
InChIKeyNFAKNAXKMFZHON-UHFFFAOYSA-N
MW446.90 g/mol
LogP5.50
Rot. Bonds5

About N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine (PubChem CID 56665724) has the molecular formula C23H22ClF3N4 and a molecular weight of 446.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine
PubChem CID56665724
Molecular FormulaC23H22ClF3N4
Molecular Weight446.90 g/mol
Exact Mass446.15
IUPAC NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)cn1
InChIInChI=1S/C23H22ClF3N4/c24-18-5-3-16(4-6-18)22(17-2-1-11-28-14-17)30-19-9-12-31(13-10-19)20-7-8-21(29-15-20)23(25,26)27/h1-8,11,14-15,19,22,30H,9-10,12-13H2
InChIKeyNFAKNAXKMFZHON-UHFFFAOYSA-N
XLogP5.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.90
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine (CID 56665724) is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine is FC(F)(F)c1ccc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine?
The InChIKey is NFAKNAXKMFZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4/c24-18-5-3-16(4-6-18)22(17-2-1-11-28-14-17)30-19-9-12-31(13-10-19)20-7-8-21(29-15-20)23(25,26)27/h1-8,11,14-15,19,22,30H,9-10,12-13H2.
What are the key properties of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine?
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine has a molecular weight of 446.90 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 56665724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).