4-[(3-chloropiperidin-1-yl)methyl]quinoline

C15H17ClN2 — CID 79240792

IUPAC4-[(3-chloropiperidin-1-yl)methyl]quinoline
SMILESClC1CCCN(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C15H17ClN2/c16-13-4-3-9-18(11-13)10-12-7-8-17-15-6-2-1-5-14(12)15/h1-2,5-8,13H,3-4,9-11H2
InChIKeyUSHYJBCRSAWMSH-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.44
Rot. Bonds2

About 4-[(3-chloropiperidin-1-yl)methyl]quinoline

4-[(3-chloropiperidin-1-yl)methyl]quinoline (PubChem CID 79240792) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-[(3-chloropiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[(3-chloropiperidin-1-yl)methyl]quinoline
PubChem CID79240792
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-[(3-chloropiperidin-1-yl)methyl]quinoline
SMILESClC1CCCN(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C15H17ClN2/c16-13-4-3-9-18(11-13)10-12-7-8-17-15-6-2-1-5-14(12)15/h1-2,5-8,13H,3-4,9-11H2
InChIKeyUSHYJBCRSAWMSH-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

3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 28768711
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloropiperidin-1-yl)methyl]quinoline?
The IUPAC name of 4-[(3-chloropiperidin-1-yl)methyl]quinoline (CID 79240792) is 4-[(3-chloropiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 4-[(3-chloropiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 4-[(3-chloropiperidin-1-yl)methyl]quinoline is ClC1CCCN(Cc2ccnc3ccccc23)C1.
What is the InChIKey of 4-[(3-chloropiperidin-1-yl)methyl]quinoline?
The InChIKey is USHYJBCRSAWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-13-4-3-9-18(11-13)10-12-7-8-17-15-6-2-1-5-14(12)15/h1-2,5-8,13H,3-4,9-11H2.
What are the key properties of 4-[(3-chloropiperidin-1-yl)methyl]quinoline?
4-[(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 4-[(3-chloropiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 79240792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).