(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol

C14H22N2O3S — CID 103960112

IUPAC(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-14(17)12-6-4-5-7-13(12)15-8-10-16(11-9-15)20(2,18)19/h4-7,14,17H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyIHDTXNUJTABGCE-CQSZACIVSA-N
MW298.41 g/mol
LogP1.21
Rot. Bonds4

About (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol

(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol (PubChem CID 103960112) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
PubChem CID103960112
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-14(17)12-6-4-5-7-13(12)15-8-10-16(11-9-15)20(2,18)19/h4-7,14,17H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyIHDTXNUJTABGCE-CQSZACIVSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
CID 113358948
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794003

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol (CID 103960112) is (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol?
The InChIKey is IHDTXNUJTABGCE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-14(17)12-6-4-5-7-13(12)15-8-10-16(11-9-15)20(2,18)19/h4-7,14,17H,3,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol?
(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).