1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine

C20H20ClNO — CID 10734873

IUPAC1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine
SMILESClc1ccc2c(c1)C=C(c1ccccc1)C(N1CCCCC1)O2
InChIInChI=1S/C20H20ClNO/c21-17-9-10-19-16(13-17)14-18(15-7-3-1-4-8-15)20(23-19)22-11-5-2-6-12-22/h1,3-4,7-10,13-14,20H,2,5-6,11-12H2
InChIKeyVTLXWEAPQRNHKS-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.09
Rot. Bonds2

About 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine

1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine (PubChem CID 10734873) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine.

Molecular Properties

Compound Name1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine
PubChem CID10734873
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine
SMILESClc1ccc2c(c1)C=C(c1ccccc1)C(N1CCCCC1)O2
InChIInChI=1S/C20H20ClNO/c21-17-9-10-19-16(13-17)14-18(15-7-3-1-4-8-15)20(23-19)22-11-5-2-6-12-22/h1,3-4,7-10,13-14,20H,2,5-6,11-12H2
InChIKeyVTLXWEAPQRNHKS-UHFFFAOYSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine?
The IUPAC name of 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine (CID 10734873) is 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine.
What is the SMILES notation for 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine?
The canonical SMILES for 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine is Clc1ccc2c(c1)C=C(c1ccccc1)C(N1CCCCC1)O2.
What is the InChIKey of 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine?
The InChIKey is VTLXWEAPQRNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-17-9-10-19-16(13-17)14-18(15-7-3-1-4-8-15)20(23-19)22-11-5-2-6-12-22/h1,3-4,7-10,13-14,20H,2,5-6,11-12H2.
What are the key properties of 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine?
1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine has a molecular weight of 325.84 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-phenyl-2H-chromen-2-yl)piperidine is sourced from PubChem (CID 10734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).