1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol

C17H27NO3S — CID 134697917

IUPAC1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
SMILESCS(=O)(=O)CCN1CCC(C(O)CCc2ccccc2)CC1
InChIInChI=1S/C17H27NO3S/c1-22(20,21)14-13-18-11-9-16(10-12-18)17(19)8-7-15-5-3-2-4-6-15/h2-6,16-17,19H,7-14H2,1H3
InChIKeyNNKLNKIDNMRQHH-UHFFFAOYSA-N
MW325.47 g/mol
LogP1.74
Rot. Bonds7

About 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol

1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol (PubChem CID 134697917) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
PubChem CID134697917
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
SMILESCS(=O)(=O)CCN1CCC(C(O)CCc2ccccc2)CC1
InChIInChI=1S/C17H27NO3S/c1-22(20,21)14-13-18-11-9-16(10-12-18)17(19)8-7-15-5-3-2-4-6-15/h2-6,16-17,19H,7-14H2,1H3
InChIKeyNNKLNKIDNMRQHH-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 131901997
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131930592
3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
CID 154451020
2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134696518
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 135101846
4-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 56891630

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol (CID 134697917) is 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol is CS(=O)(=O)CCN1CCC(C(O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol?
The InChIKey is NNKLNKIDNMRQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-22(20,21)14-13-18-11-9-16(10-12-18)17(19)8-7-15-5-3-2-4-6-15/h2-6,16-17,19H,7-14H2,1H3.
What are the key properties of 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol?
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol has a molecular weight of 325.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 134697917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).