1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine

C18H35N3O3S — CID 164634507

IUPAC1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine
SMILESCN1CCN(CC2(C)CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CC1
InChIInChI=1S/C18H35N3O3S/c1-18(16-20-12-10-19(2)11-13-20)6-8-21(9-7-18)25(22,23)15-17-5-3-4-14-24-17/h17H,3-16H2,1-2H3/t17-/m1/s1
InChIKeyUGSDZICVNZDALX-QGZVFWFLSA-N
MW373.56 g/mol
LogP1.23
Rot. Bonds5

About 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine

1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine (PubChem CID 164634507) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine
PubChem CID164634507
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC Name1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine
SMILESCN1CCN(CC2(C)CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CC1
InChIInChI=1S/C18H35N3O3S/c1-18(16-20-12-10-19(2)11-13-20)6-8-21(9-7-18)25(22,23)15-17-5-3-4-14-24-17/h17H,3-16H2,1-2H3/t17-/m1/s1
InChIKeyUGSDZICVNZDALX-QGZVFWFLSA-N
XLogP1.23
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine (CID 164634507) is 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine is CN1CCN(CC2(C)CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine?
The InChIKey is UGSDZICVNZDALX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-18(16-20-12-10-19(2)11-13-20)6-8-21(9-7-18)25(22,23)15-17-5-3-4-14-24-17/h17H,3-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine?
1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine has a molecular weight of 373.56 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 164634507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).