2-[(3-chloropiperidin-1-yl)methyl]quinoline

C15H17ClN2 — CID 63387139

IUPAC2-[(3-chloropiperidin-1-yl)methyl]quinoline
SMILESClC1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C15H17ClN2/c16-13-5-3-9-18(10-13)11-14-8-7-12-4-1-2-6-15(12)17-14/h1-2,4,6-8,13H,3,5,9-11H2
InChIKeyFDMFGVVXEQJNFF-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.44
Rot. Bonds2

About 2-[(3-chloropiperidin-1-yl)methyl]quinoline

2-[(3-chloropiperidin-1-yl)methyl]quinoline (PubChem CID 63387139) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-[(3-chloropiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(3-chloropiperidin-1-yl)methyl]quinoline
PubChem CID63387139
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-[(3-chloropiperidin-1-yl)methyl]quinoline
SMILESClC1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C15H17ClN2/c16-13-5-3-9-18(10-13)11-14-8-7-12-4-1-2-6-15(12)17-14/h1-2,4,6-8,13H,3,5,9-11H2
InChIKeyFDMFGVVXEQJNFF-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.44
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

(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
CID 95632037
N-methyl-1-[1-(quinolin-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63852699
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 164698384
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401
3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropiperidin-1-yl)methyl]quinoline?
The IUPAC name of 2-[(3-chloropiperidin-1-yl)methyl]quinoline (CID 63387139) is 2-[(3-chloropiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(3-chloropiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(3-chloropiperidin-1-yl)methyl]quinoline is ClC1CCCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[(3-chloropiperidin-1-yl)methyl]quinoline?
The InChIKey is FDMFGVVXEQJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-13-5-3-9-18(10-13)11-14-8-7-12-4-1-2-6-15(12)17-14/h1-2,4,6-8,13H,3,5,9-11H2.
What are the key properties of 2-[(3-chloropiperidin-1-yl)methyl]quinoline?
2-[(3-chloropiperidin-1-yl)methyl]quinoline has a molecular weight of 260.77 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 63387139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).