3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride

C16H20Cl2N2 — CID 3062240

IUPAC3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride
SMILESCl.Clc1cc2ccccc2nc1CCC1CCNCC1
InChIInChI=1S/C16H19ClN2.ClH/c17-14-11-13-3-1-2-4-15(13)19-16(14)6-5-12-7-9-18-10-8-12;/h1-4,11-12,18H,5-10H2;1H
InChIKeyXDYMDAHXVBLUNT-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.24
Rot. Bonds3

About 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride

3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride (PubChem CID 3062240) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride
PubChem CID3062240
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride
SMILESCl.Clc1cc2ccccc2nc1CCC1CCNCC1
InChIInChI=1S/C16H19ClN2.ClH/c17-14-11-13-3-1-2-4-15(13)19-16(14)6-5-12-7-9-18-10-8-12;/h1-4,11-12,18H,5-10H2;1H
InChIKeyXDYMDAHXVBLUNT-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
The IUPAC name of 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride (CID 3062240) is 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride.
What is the SMILES notation for 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
The canonical SMILES for 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride is Cl.Clc1cc2ccccc2nc1CCC1CCNCC1.
What is the InChIKey of 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
The InChIKey is XDYMDAHXVBLUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2.ClH/c17-14-11-13-3-1-2-4-15(13)19-16(14)6-5-12-7-9-18-10-8-12;/h1-4,11-12,18H,5-10H2;1H.
What are the key properties of 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride has a molecular weight of 311.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-piperidin-4-ylethyl)quinoline;hydrochloride is sourced from PubChem (CID 3062240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).