(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol

C20H27N3O2 — CID 28768711

IUPAC(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
SMILESOC1CCN([C@@H]2CCN(Cc3ccnc4ccccc34)C[C@H]2O)CC1
InChIInChI=1S/C20H27N3O2/c24-16-6-11-23(12-7-16)19-8-10-22(14-20(19)25)13-15-5-9-21-18-4-2-1-3-17(15)18/h1-5,9,16,19-20,24-25H,6-8,10-14H2/t19-,20-/m1/s1
InChIKeyVDINDKCBNWSMJR-WOJBJXKFSA-N
MW341.45 g/mol
LogP1.63
Rot. Bonds3

About (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol (PubChem CID 28768711) 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-(quinolin-4-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
PubChem CID28768711
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
SMILESOC1CCN([C@@H]2CCN(Cc3ccnc4ccccc34)C[C@H]2O)CC1
InChIInChI=1S/C20H27N3O2/c24-16-6-11-23(12-7-16)19-8-10-22(14-20(19)25)13-15-5-9-21-18-4-2-1-3-17(15)18/h1-5,9,16,19-20,24-25H,6-8,10-14H2/t19-,20-/m1/s1
InChIKeyVDINDKCBNWSMJR-WOJBJXKFSA-N
XLogP1.63
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 29000908
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 45252313
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 56854930
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 31015770
4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-2-one
CID 168703096
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol (CID 28768711) is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol is OC1CCN([C@@H]2CCN(Cc3ccnc4ccccc34)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol?
The InChIKey is VDINDKCBNWSMJR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-16-6-11-23(12-7-16)19-8-10-22(14-20(19)25)13-15-5-9-21-18-4-2-1-3-17(15)18/h1-5,9,16,19-20,24-25H,6-8,10-14H2/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol?
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol has a molecular weight of 341.45 g/mol, XLogP of 1.63, 3 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-(quinolin-4-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 28768711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).