N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline

C18H19F2N3 — CID 9058427

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline
SMILESFc1ccc(NN=C2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H19F2N3/c19-15-6-7-18(17(20)12-15)22-21-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyJSZQXVRCNRAIAV-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.03
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline

N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline (PubChem CID 9058427) has the molecular formula C18H19F2N3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline
PubChem CID9058427
Molecular FormulaC18H19F2N3
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline
SMILESFc1ccc(NN=C2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H19F2N3/c19-15-6-7-18(17(20)12-15)22-21-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyJSZQXVRCNRAIAV-UHFFFAOYSA-N
XLogP4.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-2,4-difluoroaniline?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline (CID 9058427) is N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline is Fc1ccc(NN=C2CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline?
The InChIKey is JSZQXVRCNRAIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3/c19-15-6-7-18(17(20)12-15)22-21-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2.
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline?
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline has a molecular weight of 315.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-difluoroaniline is sourced from PubChem (CID 9058427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).