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

C14H29N3O2S — CID 114537116

IUPAC1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCC2CCCCN2)CC(C)N1C
InChIInChI=1S/C14H29N3O2S/c1-12-10-17(11-13(2)16(12)3)20(18,19)9-7-14-6-4-5-8-15-14/h12-15H,4-11H2,1-3H3
InChIKeyYJDZJNWGYJFVRF-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.87
Rot. Bonds4

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

1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine (PubChem CID 114537116) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
PubChem CID114537116
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCC2CCCCN2)CC(C)N1C
InChIInChI=1S/C14H29N3O2S/c1-12-10-17(11-13(2)16(12)3)20(18,19)9-7-14-6-4-5-8-15-14/h12-15H,4-11H2,1-3H3
InChIKeyYJDZJNWGYJFVRF-UHFFFAOYSA-N
XLogP0.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
CID 61421410
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
7,7-dimethyl-4-(2-piperidin-2-ylethylsulfonyl)-1,4-thiazepane
CID 107456569
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63026988
2,6-dimethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 55048026
2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine?
The IUPAC name of 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine (CID 114537116) is 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine?
The canonical SMILES for 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine is CC1CN(S(=O)(=O)CCC2CCCCN2)CC(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine?
The InChIKey is YJDZJNWGYJFVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-10-17(11-13(2)16(12)3)20(18,19)9-7-14-6-4-5-8-15-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine?
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine has a molecular weight of 303.47 g/mol, XLogP of 0.87, 4 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-(2-piperidin-2-ylethylsulfonyl)piperazine is sourced from PubChem (CID 114537116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).