[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol

C14H28N2O4S — CID 114779947

IUPAC[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
SMILESCC1(C)CN(CC2CCCN(S(C)(=O)=O)C2)CC(CO)O1
InChIInChI=1S/C14H28N2O4S/c1-14(2)11-15(9-13(10-17)20-14)7-12-5-4-6-16(8-12)21(3,18)19/h12-13,17H,4-11H2,1-3H3
InChIKeyXJOUARHNFFRKKX-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.13
Rot. Bonds4

About [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol (PubChem CID 114779947) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
PubChem CID114779947
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
SMILESCC1(C)CN(CC2CCCN(S(C)(=O)=O)C2)CC(CO)O1
InChIInChI=1S/C14H28N2O4S/c1-14(2)11-15(9-13(10-17)20-14)7-12-5-4-6-16(8-12)21(3,18)19/h12-13,17H,4-11H2,1-3H3
InChIKeyXJOUARHNFFRKKX-UHFFFAOYSA-N
XLogP0.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79613133
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
CID 114780482
[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol
CID 114779904
2-(bromomethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine
CID 81212973
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol (CID 114779947) is [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol is CC1(C)CN(CC2CCCN(S(C)(=O)=O)C2)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is XJOUARHNFFRKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-14(2)11-15(9-13(10-17)20-14)7-12-5-4-6-16(8-12)21(3,18)19/h12-13,17H,4-11H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 320.46 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114779947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).