[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone

C17H22N2O — CID 135031213

IUPAC[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone
SMILESC[C@@H]1C(C(=O)N2CCCCC2)=CN(C)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-13-14-8-4-5-9-16(14)18(2)12-15(13)17(20)19-10-6-3-7-11-19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyWOHJMGMXVVVABX-ZDUSSCGKSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds1

About [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone

[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 135031213) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID135031213
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone
SMILESC[C@@H]1C(C(=O)N2CCCCC2)=CN(C)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-13-14-8-4-5-9-16(14)18(2)12-15(13)17(20)19-10-6-3-7-11-19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyWOHJMGMXVVVABX-ZDUSSCGKSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone (CID 135031213) is [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone is C[C@@H]1C(C(=O)N2CCCCC2)=CN(C)c2ccccc21.
What is the InChIKey of [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WOHJMGMXVVVABX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-14-8-4-5-9-16(14)18(2)12-15(13)17(20)19-10-6-3-7-11-19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone?
[(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 270.38 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1,4-dimethyl-4H-quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135031213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).