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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
(3R,4R)-4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonyl-1,1-dioxothiolan-3-ol
CID 51596205
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
CID 55476665
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 51103888
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
N,N-dimethyl-2-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
CID 97339756
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695

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).