4-chloro-6-(piperidin-1-ylmethyl)quinoline

C15H17ClN2 — CID 138974871

IUPAC4-chloro-6-(piperidin-1-ylmethyl)quinoline
SMILESClc1ccnc2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C15H17ClN2/c16-14-6-7-17-15-5-4-12(10-13(14)15)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2
InChIKeyGHULCHNRHVCDCE-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.87
Rot. Bonds2

About 4-chloro-6-(piperidin-1-ylmethyl)quinoline

4-chloro-6-(piperidin-1-ylmethyl)quinoline (PubChem CID 138974871) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-6-(piperidin-1-ylmethyl)quinoline.

Molecular Properties

Compound Name4-chloro-6-(piperidin-1-ylmethyl)quinoline
PubChem CID138974871
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-6-(piperidin-1-ylmethyl)quinoline
SMILESClc1ccnc2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C15H17ClN2/c16-14-6-7-17-15-5-4-12(10-13(14)15)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2
InChIKeyGHULCHNRHVCDCE-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283442
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
CID 175402022
2-chloro-5-(piperidin-1-ylmethyl)phenol
CID 117221593
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
4-chloro-7-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]quinoline
CID 151469132
(E)-1-chloro-4-[4-(piperidin-1-ylmethyl)-2-pyridinyl]but-2-en-2-ol
CID 67804565
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
CID 162469910
[3-chloro-4-(hydroxymethyl)phenyl]methanol;[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanol;cyclopentane
CID 163701313
zinc;1-(phenylmethyl)piperidine;iodide
CID 170999956
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(4-methylphenyl)methyl]azepane
CID 3951815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(piperidin-1-ylmethyl)quinoline?
The IUPAC name of 4-chloro-6-(piperidin-1-ylmethyl)quinoline (CID 138974871) is 4-chloro-6-(piperidin-1-ylmethyl)quinoline.
What is the SMILES notation for 4-chloro-6-(piperidin-1-ylmethyl)quinoline?
The canonical SMILES for 4-chloro-6-(piperidin-1-ylmethyl)quinoline is Clc1ccnc2ccc(CN3CCCCC3)cc12.
What is the InChIKey of 4-chloro-6-(piperidin-1-ylmethyl)quinoline?
The InChIKey is GHULCHNRHVCDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-14-6-7-17-15-5-4-12(10-13(14)15)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2.
What are the key properties of 4-chloro-6-(piperidin-1-ylmethyl)quinoline?
4-chloro-6-(piperidin-1-ylmethyl)quinoline has a molecular weight of 260.77 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(piperidin-1-ylmethyl)quinoline is sourced from PubChem (CID 138974871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).