4-[bis(2-chlorophenyl)methylidene]piperidine

C18H17Cl2N — CID 54403553

IUPAC4-[bis(2-chlorophenyl)methylidene]piperidine
SMILESClc1ccccc1C(=C1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C18H17Cl2N/c19-16-7-3-1-5-14(16)18(13-9-11-21-12-10-13)15-6-2-4-8-17(15)20/h1-8,21H,9-12H2
InChIKeyQYIXWEQEPMOWRE-UHFFFAOYSA-N
MW318.25 g/mol
LogP5.18
Rot. Bonds2

About 4-[bis(2-chlorophenyl)methylidene]piperidine

4-[bis(2-chlorophenyl)methylidene]piperidine (PubChem CID 54403553) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is 4-[bis(2-chlorophenyl)methylidene]piperidine.

Molecular Properties

Compound Name4-[bis(2-chlorophenyl)methylidene]piperidine
PubChem CID54403553
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name4-[bis(2-chlorophenyl)methylidene]piperidine
SMILESClc1ccccc1C(=C1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C18H17Cl2N/c19-16-7-3-1-5-14(16)18(13-9-11-21-12-10-13)15-6-2-4-8-17(15)20/h1-8,21H,9-12H2
InChIKeyQYIXWEQEPMOWRE-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-chlorophenyl)methylidene]piperidine?
The IUPAC name of 4-[bis(2-chlorophenyl)methylidene]piperidine (CID 54403553) is 4-[bis(2-chlorophenyl)methylidene]piperidine.
What is the SMILES notation for 4-[bis(2-chlorophenyl)methylidene]piperidine?
The canonical SMILES for 4-[bis(2-chlorophenyl)methylidene]piperidine is Clc1ccccc1C(=C1CCNCC1)c1ccccc1Cl.
What is the InChIKey of 4-[bis(2-chlorophenyl)methylidene]piperidine?
The InChIKey is QYIXWEQEPMOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N/c19-16-7-3-1-5-14(16)18(13-9-11-21-12-10-13)15-6-2-4-8-17(15)20/h1-8,21H,9-12H2.
What are the key properties of 4-[bis(2-chlorophenyl)methylidene]piperidine?
4-[bis(2-chlorophenyl)methylidene]piperidine has a molecular weight of 318.25 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-chlorophenyl)methylidene]piperidine is sourced from PubChem (CID 54403553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).