(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol

C19H26N2O2 — CID 155503992

IUPAC(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2cc(C)nc3ccccc23)CC[C@@H]1O
InChIInChI=1S/C19H26N2O2/c1-3-9-19(13-22)12-21(10-8-18(19)23)17-11-14(2)20-16-7-5-4-6-15(16)17/h4-7,11,18,22-23H,3,8-10,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyGLXDSYSDCOBBGU-OALUTQOASA-N
MW314.43 g/mol
LogP2.89
Rot. Bonds4

About (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol

(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol (PubChem CID 155503992) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol
PubChem CID155503992
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2cc(C)nc3ccccc23)CC[C@@H]1O
InChIInChI=1S/C19H26N2O2/c1-3-9-19(13-22)12-21(10-8-18(19)23)17-11-14(2)20-16-7-5-4-6-15(16)17/h4-7,11,18,22-23H,3,8-10,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyGLXDSYSDCOBBGU-OALUTQOASA-N
XLogP2.89
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
CID 155496224
(3S,4S)-3-(hydroxymethyl)-1-(4-methylphthalazin-1-yl)-3-propylpiperidin-4-ol
CID 155507875
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249
(2,6-dimethylpyrimidin-4-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155498555
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
[(4aS,8aS)-1-methyl-7-(2-methylquinolin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135096338
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155505171
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420
1-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 155492666

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol (CID 155503992) is (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(c2cc(C)nc3ccccc23)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol?
The InChIKey is GLXDSYSDCOBBGU-OALUTQOASA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-9-19(13-22)12-21(10-8-18(19)23)17-11-14(2)20-16-7-5-4-6-15(16)17/h4-7,11,18,22-23H,3,8-10,12-13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol?
(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol has a molecular weight of 314.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol is sourced from PubChem (CID 155503992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).