N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C18H18ClF3N4 — CID 3578183

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NN=C2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C18H18ClF3N4/c19-16-10-14(18(20,21)22)11-23-17(16)25-24-15-6-8-26(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,23,25)
InChIKeyZLSJBHGCZLTDLZ-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.82
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 3578183) has the molecular formula C18H18ClF3N4 and a molecular weight of 382.82 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID3578183
Molecular FormulaC18H18ClF3N4
Molecular Weight382.82 g/mol
Exact Mass382.12
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NN=C2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C18H18ClF3N4/c19-16-10-14(18(20,21)22)11-23-17(16)25-24-15-6-8-26(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,23,25)
InChIKeyZLSJBHGCZLTDLZ-UHFFFAOYSA-N
XLogP4.82
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 3578183) is N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NN=C2CCN(Cc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZLSJBHGCZLTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4/c19-16-10-14(18(20,21)22)11-23-17(16)25-24-15-6-8-26(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,23,25).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 382.82 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 3578183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).