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

C17H22Cl2N2 — CID 3062232

IUPAC3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride
SMILESCc1nc2ccccc2c(CCC2CCNCC2)c1Cl.Cl
InChIInChI=1S/C17H21ClN2.ClH/c1-12-17(18)15(7-6-13-8-10-19-11-9-13)14-4-2-3-5-16(14)20-12;/h2-5,13,19H,6-11H2,1H3;1H
InChIKeyUBHPHGIAQAGNFR-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.55
Rot. Bonds3

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

3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride (PubChem CID 3062232) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride
PubChem CID3062232
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride
SMILESCc1nc2ccccc2c(CCC2CCNCC2)c1Cl.Cl
InChIInChI=1S/C17H21ClN2.ClH/c1-12-17(18)15(7-6-13-8-10-19-11-9-13)14-4-2-3-5-16(14)20-12;/h2-5,13,19H,6-11H2,1H3;1H
InChIKeyUBHPHGIAQAGNFR-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
The IUPAC name of 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride (CID 3062232) is 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride.
What is the SMILES notation for 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
The canonical SMILES for 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride is Cc1nc2ccccc2c(CCC2CCNCC2)c1Cl.Cl.
What is the InChIKey of 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
The InChIKey is UBHPHGIAQAGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2.ClH/c1-12-17(18)15(7-6-13-8-10-19-11-9-13)14-4-2-3-5-16(14)20-12;/h2-5,13,19H,6-11H2,1H3;1H.
What are the key properties of 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride?
3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride has a molecular weight of 325.28 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride is sourced from PubChem (CID 3062232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).