N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine

C24H22ClF4N3 — CID 56658806

IUPACN-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFc1cc(Cl)ccc1C(NC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1
InChIInChI=1S/C24H22ClF4N3/c25-18-5-8-21(22(26)14-18)23(16-2-1-11-30-15-16)31-19-9-12-32(13-10-19)20-6-3-17(4-7-20)24(27,28)29/h1-8,11,14-15,19,23,31H,9-10,12-13H2
InChIKeyQGNPDOIWXXUTKE-UHFFFAOYSA-N
MW463.91 g/mol
LogP6.24
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine

N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 56658806) has the molecular formula C24H22ClF4N3 and a molecular weight of 463.91 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID56658806
Molecular FormulaC24H22ClF4N3
Molecular Weight463.91 g/mol
Exact Mass463.14
IUPAC NameN-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESFc1cc(Cl)ccc1C(NC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1
InChIInChI=1S/C24H22ClF4N3/c25-18-5-8-21(22(26)14-18)23(16-2-1-11-30-15-16)31-19-9-12-32(13-10-19)20-6-3-17(4-7-20)24(27,28)29/h1-8,11,14-15,19,23,31H,9-10,12-13H2
InChIKeyQGNPDOIWXXUTKE-UHFFFAOYSA-N
XLogP6.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.91
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 145949864
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CID 5351244
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CID 16733371
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CID 44414800
CID 44414800

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine (CID 56658806) is N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine is Fc1cc(Cl)ccc1C(NC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is QGNPDOIWXXUTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF4N3/c25-18-5-8-21(22(26)14-18)23(16-2-1-11-30-15-16)31-19-9-12-32(13-10-19)20-6-3-17(4-7-20)24(27,28)29/h1-8,11,14-15,19,23,31H,9-10,12-13H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine?
N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 463.91 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 56658806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).