(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol

C20H27N3O2 — CID 56875982

IUPAC(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
SMILESCc1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc2ccccc12
InChIInChI=1S/C20H27N3O2/c1-14-12-20(21-17-5-3-2-4-16(14)17)23-11-8-18(19(25)13-23)22-9-6-15(24)7-10-22/h2-5,12,15,18-19,24-25H,6-11,13H2,1H3/t18-,19-/m1/s1
InChIKeySLXCWKYFLBCOSD-RTBURBONSA-N
MW341.45 g/mol
LogP1.94
Rot. Bonds2

About (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol (PubChem CID 56875982) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
PubChem CID56875982
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
SMILESCc1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc2ccccc12
InChIInChI=1S/C20H27N3O2/c1-14-12-20(21-17-5-3-2-4-16(14)17)23-11-8-18(19(25)13-23)22-9-6-15(24)7-10-22/h2-5,12,15,18-19,24-25H,6-11,13H2,1H3/t18-,19-/m1/s1
InChIKeySLXCWKYFLBCOSD-RTBURBONSA-N
XLogP1.94
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol with MolForge

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Related Compounds

4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
CID 102955884
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234
4-methyl-2-piperazin-1-ylquinoline
CID 598754
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
CID 171998224
(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
CID 155496224
N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
CID 171701055
4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine
CID 56868973
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol (CID 56875982) is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol is Cc1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc2ccccc12.
What is the InChIKey of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol?
The InChIKey is SLXCWKYFLBCOSD-RTBURBONSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-12-20(21-17-5-3-2-4-16(14)17)23-11-8-18(19(25)13-23)22-9-6-15(24)7-10-22/h2-5,12,15,18-19,24-25H,6-11,13H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol?
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol has a molecular weight of 341.45 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 56875982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).