(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol

C22H35N3O2 — CID 70721365

IUPAC(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol
SMILESC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C22H35N3O2/c1-18-16-25(13-9-22(18,26)19-7-14-27-15-8-19)21-5-11-24(12-6-21)17-20-4-2-3-10-23-20/h2-4,10,18-19,21,26H,5-9,11-17H2,1H3/t18-,22+/m1/s1
InChIKeyMCCODVZDEAJFMS-GCJKJVERSA-N
MW373.54 g/mol
LogP2.55
Rot. Bonds4

About (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol (PubChem CID 70721365) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol
PubChem CID70721365
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol
SMILESC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C22H35N3O2/c1-18-16-25(13-9-22(18,26)19-7-14-27-15-8-19)21-5-11-24(12-6-21)17-20-4-2-3-10-23-20/h2-4,10,18-19,21,26H,5-9,11-17H2,1H3/t18-,22+/m1/s1
InChIKeyMCCODVZDEAJFMS-GCJKJVERSA-N
XLogP2.55
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
CID 29001663
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 156603731
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
CID 72847808
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
CID 126771656

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol (CID 70721365) is (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol is C[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol?
The InChIKey is MCCODVZDEAJFMS-GCJKJVERSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18-16-25(13-9-22(18,26)19-7-14-27-15-8-19)21-5-11-24(12-6-21)17-20-4-2-3-10-23-20/h2-4,10,18-19,21,26H,5-9,11-17H2,1H3/t18-,22+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol?
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol has a molecular weight of 373.54 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70721365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).