2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline

C15H16Cl2N2 — CID 117475770

IUPAC2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline
SMILESClc1ccc2c(Cl)c(CC3CCCCN3)ccc2n1
InChIInChI=1S/C15H16Cl2N2/c16-14-7-5-12-13(19-14)6-4-10(15(12)17)9-11-3-1-2-8-18-11/h4-7,11,18H,1-3,8-9H2
InChIKeyRQMWLTYYNMUZIZ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.23
Rot. Bonds2

About 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline

2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline (PubChem CID 117475770) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline.

Molecular Properties

Compound Name2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline
PubChem CID117475770
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline
SMILESClc1ccc2c(Cl)c(CC3CCCCN3)ccc2n1
InChIInChI=1S/C15H16Cl2N2/c16-14-7-5-12-13(19-14)6-4-10(15(12)17)9-11-3-1-2-8-18-11/h4-7,11,18H,1-3,8-9H2
InChIKeyRQMWLTYYNMUZIZ-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117351934
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
CID 117408519
6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 57340744
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
2-(piperidin-2-ylmethyl)aniline
CID 84662844
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidine
CID 117422989
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
CID 117356635

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline?
The IUPAC name of 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline (CID 117475770) is 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline.
What is the SMILES notation for 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline?
The canonical SMILES for 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline is Clc1ccc2c(Cl)c(CC3CCCCN3)ccc2n1.
What is the InChIKey of 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline?
The InChIKey is RQMWLTYYNMUZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c16-14-7-5-12-13(19-14)6-4-10(15(12)17)9-11-3-1-2-8-18-11/h4-7,11,18H,1-3,8-9H2.
What are the key properties of 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline?
2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline has a molecular weight of 295.21 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline is sourced from PubChem (CID 117475770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).