1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine

C13H27N3O2S — CID 114537834

IUPAC1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CC2CCCCN2)CC(C)N1C
InChIInChI=1S/C13H27N3O2S/c1-11-8-16(9-12(2)15(11)3)19(17,18)10-13-6-4-5-7-14-13/h11-14H,4-10H2,1-3H3
InChIKeyNIEBUSOOJJQODT-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.48
Rot. Bonds3

About 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine

1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine (PubChem CID 114537834) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
PubChem CID114537834
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CC2CCCCN2)CC(C)N1C
InChIInChI=1S/C13H27N3O2S/c1-11-8-16(9-12(2)15(11)3)19(17,18)10-13-6-4-5-7-14-13/h11-14H,4-10H2,1-3H3
InChIKeyNIEBUSOOJJQODT-UHFFFAOYSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
CID 54973972
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine?
The IUPAC name of 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine (CID 114537834) is 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine?
The canonical SMILES for 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine is CC1CN(S(=O)(=O)CC2CCCCN2)CC(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine?
The InChIKey is NIEBUSOOJJQODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-8-16(9-12(2)15(11)3)19(17,18)10-13-6-4-5-7-14-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine?
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine has a molecular weight of 289.44 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine is sourced from PubChem (CID 114537834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).