4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine

C19H29NO4S — CID 134813124

IUPAC4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESCOc1ccc(CCC2CCN(S(=O)(=O)CC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4S/c1-23-18-8-6-16(7-9-18)4-5-17-10-12-20(13-11-17)25(21,22)15-19-3-2-14-24-19/h6-9,17,19H,2-5,10-15H2,1H3
InChIKeyPPTGSNICQDYTQC-UHFFFAOYSA-N
MW367.51 g/mol
LogP2.85
Rot. Bonds7

About 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine

4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine (PubChem CID 134813124) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine
PubChem CID134813124
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine
SMILESCOc1ccc(CCC2CCN(S(=O)(=O)CC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4S/c1-23-18-8-6-16(7-9-18)4-5-17-10-12-20(13-11-17)25(21,22)15-19-3-2-14-24-19/h6-9,17,19H,2-5,10-15H2,1H3
InChIKeyPPTGSNICQDYTQC-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine (CID 134813124) is 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine is COc1ccc(CCC2CCN(S(=O)(=O)CC3CCCO3)CC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine?
The InChIKey is PPTGSNICQDYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-23-18-8-6-16(7-9-18)4-5-17-10-12-20(13-11-17)25(21,22)15-19-3-2-14-24-19/h6-9,17,19H,2-5,10-15H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine?
4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine has a molecular weight of 367.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 134813124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).