1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H30N2OS — CID 111477005

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CN2CC(C)SC(C)C2)CC1
InChIInChI=1S/C15H30N2OS/c1-12-4-6-16(7-5-12)10-15(18)11-17-8-13(2)19-14(3)9-17/h12-15,18H,4-11H2,1-3H3
InChIKeyUVBWBSIKCPOPEF-UHFFFAOYSA-N
MW286.48 g/mol
LogP1.90
Rot. Bonds4

About 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 111477005) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID111477005
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CN2CC(C)SC(C)C2)CC1
InChIInChI=1S/C15H30N2OS/c1-12-4-6-16(7-5-12)10-15(18)11-17-8-13(2)19-14(3)9-17/h12-15,18H,4-11H2,1-3H3
InChIKeyUVBWBSIKCPOPEF-UHFFFAOYSA-N
XLogP1.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-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

1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
1-cyclopentyl-3-(2,6-dimethylthiomorpholin-4-yl)propan-2-ol
CID 103160060
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
CID 111799262
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95309026
3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
CID 115873173
1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol
CID 171852942

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 111477005) is 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CN2CC(C)SC(C)C2)CC1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is UVBWBSIKCPOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12-4-6-16(7-5-12)10-15(18)11-17-8-13(2)19-14(3)9-17/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 286.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111477005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).