6-chloro-4-phenyl-2-piperidin-1-ylquinoline

C20H19ClN2 — CID 3619802

IUPAC6-chloro-4-phenyl-2-piperidin-1-ylquinoline
SMILESClc1ccc2nc(N3CCCCC3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H19ClN2/c21-16-9-10-19-18(13-16)17(15-7-3-1-4-8-15)14-20(22-19)23-11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12H2
InChIKeyOVECYULGNYIKMN-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.55
Rot. Bonds2

About 6-chloro-4-phenyl-2-piperidin-1-ylquinoline

6-chloro-4-phenyl-2-piperidin-1-ylquinoline (PubChem CID 3619802) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-piperidin-1-ylquinoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-piperidin-1-ylquinoline
PubChem CID3619802
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name6-chloro-4-phenyl-2-piperidin-1-ylquinoline
SMILESClc1ccc2nc(N3CCCCC3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H19ClN2/c21-16-9-10-19-18(13-16)17(15-7-3-1-4-8-15)14-20(22-19)23-11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12H2
InChIKeyOVECYULGNYIKMN-UHFFFAOYSA-N
XLogP5.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline?
The IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline (CID 3619802) is 6-chloro-4-phenyl-2-piperidin-1-ylquinoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline?
The canonical SMILES for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline is Clc1ccc2nc(N3CCCCC3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline?
The InChIKey is OVECYULGNYIKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c21-16-9-10-19-18(13-16)17(15-7-3-1-4-8-15)14-20(22-19)23-11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12H2.
What are the key properties of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline?
6-chloro-4-phenyl-2-piperidin-1-ylquinoline has a molecular weight of 322.84 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline is sourced from PubChem (CID 3619802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).