(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine

C17H27N3O2S — CID 124988402

IUPAC(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
SMILESCN1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H27N3O2S/c1-18-12-13-19(14-17(18)15-6-4-3-5-7-15)16-8-10-20(11-9-16)23(2,21)22/h3-7,16-17H,8-14H2,1-2H3/t17-/m0/s1
InChIKeyOMQFXLVFCFAJRG-KRWDZBQOSA-N
MW337.49 g/mol
LogP1.40
Rot. Bonds3

About (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine

(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine (PubChem CID 124988402) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
PubChem CID124988402
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
SMILESCN1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H27N3O2S/c1-18-12-13-19(14-17(18)15-6-4-3-5-7-15)16-8-10-20(11-9-16)23(2,21)22/h3-7,16-17H,8-14H2,1-2H3/t17-/m0/s1
InChIKeyOMQFXLVFCFAJRG-KRWDZBQOSA-N
XLogP1.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988403
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
CID 90566974
1-methyl-2-phenylazetidine
CID 576373
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95140351
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine?
The IUPAC name of (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine (CID 124988402) is (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine.
What is the SMILES notation for (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine?
The canonical SMILES for (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine is CN1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccccc1.
What is the InChIKey of (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine?
The InChIKey is OMQFXLVFCFAJRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-18-12-13-19(14-17(18)15-6-4-3-5-7-15)16-8-10-20(11-9-16)23(2,21)22/h3-7,16-17H,8-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine?
(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine has a molecular weight of 337.49 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine is sourced from PubChem (CID 124988402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).