4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride

C22H33ClN2O — CID 44522662

IUPAC4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride
SMILESCCCN1CCC(CCCc2ccnc3ccc(O)cc23)[C@@H](CC)C1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-3-13-24-14-11-18(17(4-2)16-24)6-5-7-19-10-12-23-22-9-8-20(25)15-21(19)22;/h8-10,12,15,17-18,25H,3-7,11,13-14,16H2,1-2H3;1H/t17-,18?;/m0./s1
InChIKeyMLGNGDIYMKNRGB-OQICONIUSA-N
MW376.97 g/mol
LogP5.44
Rot. Bonds7

About 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride

4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride (PubChem CID 44522662) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride.

Molecular Properties

Compound Name4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride
PubChem CID44522662
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride
SMILESCCCN1CCC(CCCc2ccnc3ccc(O)cc23)[C@@H](CC)C1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-3-13-24-14-11-18(17(4-2)16-24)6-5-7-19-10-12-23-22-9-8-20(25)15-21(19)22;/h8-10,12,15,17-18,25H,3-7,11,13-14,16H2,1-2H3;1H/t17-,18?;/m0./s1
InChIKeyMLGNGDIYMKNRGB-OQICONIUSA-N
XLogP5.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.97
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride?
The IUPAC name of 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride (CID 44522662) is 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride.
What is the SMILES notation for 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride?
The canonical SMILES for 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride is CCCN1CCC(CCCc2ccnc3ccc(O)cc23)[C@@H](CC)C1.Cl.
What is the InChIKey of 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride?
The InChIKey is MLGNGDIYMKNRGB-OQICONIUSA-N. The full InChI is InChI=1S/C22H32N2O.ClH/c1-3-13-24-14-11-18(17(4-2)16-24)6-5-7-19-10-12-23-22-9-8-20(25)15-21(19)22;/h8-10,12,15,17-18,25H,3-7,11,13-14,16H2,1-2H3;1H/t17-,18?;/m0./s1.
What are the key properties of 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride?
4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride has a molecular weight of 376.97 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3R,4R)-3-ethyl-1-propylpiperidin-4-yl]propyl]quinolin-6-ol;hydrochloride is sourced from PubChem (CID 44522662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).