4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol

C15H29NO3S — CID 79610260

IUPAC4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
SMILESCC1CCCC(O)(CC2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H29NO3S/c1-13-5-3-8-15(17,9-7-13)11-14-6-4-10-16(12-14)20(2,18)19/h13-14,17H,3-12H2,1-2H3
InChIKeyWURQXHZTIJVZFQ-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.38
Rot. Bonds3

About 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol

4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol (PubChem CID 79610260) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
PubChem CID79610260
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
SMILESCC1CCCC(O)(CC2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H29NO3S/c1-13-5-3-8-15(17,9-7-13)11-14-6-4-10-16(12-14)20(2,18)19/h13-14,17H,3-12H2,1-2H3
InChIKeyWURQXHZTIJVZFQ-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-Trifluoro-2-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116535774
2,3,3-Trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
3-[(1-Methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol
CID 79609274
2,3-Dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609275
3-Methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609280
2-Cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609286
1-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-ol
CID 79609287
1-(3-Ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609311
2-Cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609518
2-Methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
2,2-Dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-ol
CID 79609780
1-Methyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]azepan-4-ol
CID 79609781

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol (CID 79610260) is 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol is CC1CCCC(O)(CC2CCCN(S(C)(=O)=O)C2)CC1.
What is the InChIKey of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is WURQXHZTIJVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-13-5-3-8-15(17,9-7-13)11-14-6-4-10-16(12-14)20(2,18)19/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol has a molecular weight of 303.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 79610260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).