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

C19H26N2O2 — CID 155496224

IUPAC(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2cc(C)c3ccccc3n2)CC[C@H]1O
InChIInChI=1S/C19H26N2O2/c1-3-9-19(13-22)12-21(10-8-17(19)23)18-11-14(2)15-6-4-5-7-16(15)20-18/h4-7,11,17,22-23H,3,8-10,12-13H2,1-2H3/t17-,19+/m1/s1
InChIKeyJCZNJNFZXMZXHU-MJGOQNOKSA-N
MW314.43 g/mol
LogP2.89
Rot. Bonds4

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

(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol (PubChem CID 155496224) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
PubChem CID155496224
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2cc(C)c3ccccc3n2)CC[C@H]1O
InChIInChI=1S/C19H26N2O2/c1-3-9-19(13-22)12-21(10-8-17(19)23)18-11-14(2)15-6-4-5-7-16(15)20-18/h4-7,11,17,22-23H,3,8-10,12-13H2,1-2H3/t17-,19+/m1/s1
InChIKeyJCZNJNFZXMZXHU-MJGOQNOKSA-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,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol
CID 155503992
(3S,4S)-3-(hydroxymethyl)-1-(4-methylphthalazin-1-yl)-3-propylpiperidin-4-ol
CID 155507875
(3R,4R)-4-(hydroxymethyl)-1-(4-methyl-7-methylsulfanylquinolin-2-yl)-4-propylpiperidin-3-ol
CID 155911377
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249
(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155495165
(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
CID 155506237
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
CID 56875982
1-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 155492666
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234
4-methyl-2-piperazin-1-ylquinoline
CID 598754
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155505171

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol (CID 155496224) is (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(c2cc(C)c3ccccc3n2)CC[C@H]1O.
What is the InChIKey of (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol?
The InChIKey is JCZNJNFZXMZXHU-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-9-19(13-22)12-21(10-8-17(19)23)18-11-14(2)15-6-4-5-7-16(15)20-18/h4-7,11,17,22-23H,3,8-10,12-13H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of (3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol?
(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-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,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol is sourced from PubChem (CID 155496224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).