(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol

C14H20BrNO3S — CID 134969160

IUPAC(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccc(Br)cc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20BrNO3S/c1-11(14(17)12-5-7-13(15)8-6-12)20(18,19)16-9-3-2-4-10-16/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m0/s1
InChIKeyGOQOSBUSTMOVPH-FZMZJTMJSA-N
MW362.29 g/mol
LogP2.69
Rot. Bonds4

About (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol

(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol (PubChem CID 134969160) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol
PubChem CID134969160
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccc(Br)cc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20BrNO3S/c1-11(14(17)12-5-7-13(15)8-6-12)20(18,19)16-9-3-2-4-10-16/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m0/s1
InChIKeyGOQOSBUSTMOVPH-FZMZJTMJSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol?
The IUPAC name of (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol (CID 134969160) is (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol.
What is the SMILES notation for (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol?
The canonical SMILES for (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol is C[C@@H]([C@H](O)c1ccc(Br)cc1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol?
The InChIKey is GOQOSBUSTMOVPH-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-11(14(17)12-5-7-13(15)8-6-12)20(18,19)16-9-3-2-4-10-16/h5-8,11,14,17H,2-4,9-10H2,1H3/t11-,14-/m0/s1.
What are the key properties of (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol?
(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol has a molecular weight of 362.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol is sourced from PubChem (CID 134969160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).