4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline

C16H19ClN2 — CID 61257807

IUPAC4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
SMILESCC1CCCN(c2cc(CCl)c3ccccc3n2)C1
InChIInChI=1S/C16H19ClN2/c1-12-5-4-8-19(11-12)16-9-13(10-17)14-6-2-3-7-15(14)18-16/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3
InChIKeyUQKGJQHGVKQKFJ-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.21
Rot. Bonds2

About 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline

4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline (PubChem CID 61257807) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
PubChem CID61257807
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
SMILESCC1CCCN(c2cc(CCl)c3ccccc3n2)C1
InChIInChI=1S/C16H19ClN2/c1-12-5-4-8-19(11-12)16-9-13(10-17)14-6-2-3-7-15(14)18-16/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3
InChIKeyUQKGJQHGVKQKFJ-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.21
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-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine
CID 104959969
4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline
CID 61256156
N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine
CID 63625591
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941
2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
CID 92772448
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090939
[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine
CID 79182765
1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
CID 102955884

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline (CID 61257807) is 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline is CC1CCCN(c2cc(CCl)c3ccccc3n2)C1.
What is the InChIKey of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline?
The InChIKey is UQKGJQHGVKQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-5-4-8-19(11-12)16-9-13(10-17)14-6-2-3-7-15(14)18-16/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline?
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline has a molecular weight of 274.79 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 61257807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).