2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline

C16H19ClN2 — CID 114682615

IUPAC2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1N1CCC(Cl)C(C)C1
InChIInChI=1S/C16H19ClN2/c1-11-9-13-5-3-4-6-15(13)18-16(11)19-8-7-14(17)12(2)10-19/h3-6,9,12,14H,7-8,10H2,1-2H3
InChIKeyHFWNXLCFEVADNF-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.00
Rot. Bonds1

About 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline

2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline (PubChem CID 114682615) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline.

Molecular Properties

Compound Name2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
PubChem CID114682615
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1N1CCC(Cl)C(C)C1
InChIInChI=1S/C16H19ClN2/c1-11-9-13-5-3-4-6-15(13)18-16(11)19-8-7-14(17)12(2)10-19/h3-6,9,12,14H,7-8,10H2,1-2H3
InChIKeyHFWNXLCFEVADNF-UHFFFAOYSA-N
XLogP4.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
CID 114961620
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 115733660
3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448836
N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide
CID 79670680
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75384063
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
(3S,4S)-1-(3-methylquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063809
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63164336

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline?
The IUPAC name of 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline (CID 114682615) is 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline.
What is the SMILES notation for 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline?
The canonical SMILES for 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline is Cc1cc2ccccc2nc1N1CCC(Cl)C(C)C1.
What is the InChIKey of 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline?
The InChIKey is HFWNXLCFEVADNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-9-13-5-3-4-6-15(13)18-16(11)19-8-7-14(17)12(2)10-19/h3-6,9,12,14H,7-8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline?
2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline has a molecular weight of 274.79 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline is sourced from PubChem (CID 114682615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).