1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine

C14H22N2O2S — CID 82249420

IUPAC1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(S(C)(=O)=O)C(c2ccccc2)CN1
InChIInChI=1S/C14H22N2O2S/c1-11(2)13-10-16(19(3,17)18)14(9-15-13)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3
InChIKeyQLMCZINHZJTJDQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds3

About 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine

1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine (PubChem CID 82249420) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
PubChem CID82249420
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(S(C)(=O)=O)C(c2ccccc2)CN1
InChIInChI=1S/C14H22N2O2S/c1-11(2)13-10-16(19(3,17)18)14(9-15-13)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3
InChIKeyQLMCZINHZJTJDQ-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
CID 169211755
1-(2-methylcyclopropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64936441
1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246030
1-but-3-yn-2-yl-2-phenyl-5-propan-2-ylpiperazine
CID 114420436
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64840410
1-methylsulfonyl-2-phenyl-1,4-diazepane
CID 82245286
2-phenyl-5-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952268
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
CID 106224606
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
CID 64849021

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine (CID 82249420) is 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine is CC(C)C1CN(S(C)(=O)=O)C(c2ccccc2)CN1.
What is the InChIKey of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine?
The InChIKey is QLMCZINHZJTJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)13-10-16(19(3,17)18)14(9-15-13)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3.
What are the key properties of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine?
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 82249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).