6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline

C16H19ClN2 — CID 114682261

IUPAC6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
SMILESCC1CN(Cc2ccc3ncccc3c2)CCC1Cl
InChIInChI=1S/C16H19ClN2/c1-12-10-19(8-6-15(12)17)11-13-4-5-16-14(9-13)3-2-7-18-16/h2-5,7,9,12,15H,6,8,10-11H2,1H3
InChIKeySVSXMEQOZQTNNF-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.68
Rot. Bonds2

About 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline

6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline (PubChem CID 114682261) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
PubChem CID114682261
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
SMILESCC1CN(Cc2ccc3ncccc3c2)CCC1Cl
InChIInChI=1S/C16H19ClN2/c1-12-10-19(8-6-15(12)17)11-13-4-5-16-14(9-13)3-2-7-18-16/h2-5,7,9,12,15H,6,8,10-11H2,1H3
InChIKeySVSXMEQOZQTNNF-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
3-ethyl-N-methyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 114507998
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
CID 102784654
6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
CID 82684729
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline?
The IUPAC name of 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline (CID 114682261) is 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline is CC1CN(Cc2ccc3ncccc3c2)CCC1Cl.
What is the InChIKey of 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline?
The InChIKey is SVSXMEQOZQTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-10-19(8-6-15(12)17)11-13-4-5-16-14(9-13)3-2-7-18-16/h2-5,7,9,12,15H,6,8,10-11H2,1H3.
What are the key properties of 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline?
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline has a molecular weight of 274.79 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 114682261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).