2-chloro-3-(piperidin-1-ylmethyl)quinoline

C15H17ClN2 — CID 60669623

IUPAC2-chloro-3-(piperidin-1-ylmethyl)quinoline
SMILESClc1nc2ccccc2cc1CN1CCCCC1
InChIInChI=1S/C15H17ClN2/c16-15-13(11-18-8-4-1-5-9-18)10-12-6-2-3-7-14(12)17-15/h2-3,6-7,10H,1,4-5,8-9,11H2
InChIKeyUQOBOJLZNPMAFU-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.87
Rot. Bonds2

About 2-chloro-3-(piperidin-1-ylmethyl)quinoline

2-chloro-3-(piperidin-1-ylmethyl)quinoline (PubChem CID 60669623) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-chloro-3-(piperidin-1-ylmethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(piperidin-1-ylmethyl)quinoline
PubChem CID60669623
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-chloro-3-(piperidin-1-ylmethyl)quinoline
SMILESClc1nc2ccccc2cc1CN1CCCCC1
InChIInChI=1S/C15H17ClN2/c16-15-13(11-18-8-4-1-5-9-18)10-12-6-2-3-7-14(12)17-15/h2-3,6-7,10H,1,4-5,8-9,11H2
InChIKeyUQOBOJLZNPMAFU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
CID 63479216
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
4-[(2-chloroquinolin-3-yl)methyl]-2-methyl-1,4-oxazepane
CID 62988336
N-methyl-3-(piperidin-1-ylmethyl)quinolin-2-amine
CID 62182323
[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine
CID 62244240
2-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 8719857
1-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140011
2-chloro-3-[(3,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 63874080
[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062000
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(piperidin-1-ylmethyl)quinoline?
The IUPAC name of 2-chloro-3-(piperidin-1-ylmethyl)quinoline (CID 60669623) is 2-chloro-3-(piperidin-1-ylmethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(piperidin-1-ylmethyl)quinoline?
The canonical SMILES for 2-chloro-3-(piperidin-1-ylmethyl)quinoline is Clc1nc2ccccc2cc1CN1CCCCC1.
What is the InChIKey of 2-chloro-3-(piperidin-1-ylmethyl)quinoline?
The InChIKey is UQOBOJLZNPMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-15-13(11-18-8-4-1-5-9-18)10-12-6-2-3-7-14(12)17-15/h2-3,6-7,10H,1,4-5,8-9,11H2.
What are the key properties of 2-chloro-3-(piperidin-1-ylmethyl)quinoline?
2-chloro-3-(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 2-chloro-3-(piperidin-1-ylmethyl)quinoline is sourced from PubChem (CID 60669623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).