(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine

C17H27NO3S — CID 124619658

IUPAC(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine
SMILESCCOC[C@@H]1CCCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H27NO3S/c1-4-21-13-15-6-5-11-18(12-15)14(2)16-7-9-17(10-8-16)22(3,19)20/h7-10,14-15H,4-6,11-13H2,1-3H3/t14-,15+/m0/s1
InChIKeyPLGWSVIIVIIJBP-LSDHHAIUSA-N
MW325.47 g/mol
LogP2.90
Rot. Bonds6

About (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine

(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine (PubChem CID 124619658) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine
PubChem CID124619658
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine
SMILESCCOC[C@@H]1CCCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H27NO3S/c1-4-21-13-15-6-5-11-18(12-15)14(2)16-7-9-17(10-8-16)22(3,19)20/h7-10,14-15H,4-6,11-13H2,1-3H3/t14-,15+/m0/s1
InChIKeyPLGWSVIIVIIJBP-LSDHHAIUSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-1-[1-(4-methylsulfonylphenyl)ethyl]piperidine
CID 136534212
N-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidin-3-amine
CID 115299929
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine
CID 100640488
1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595825
1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347768
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110416540
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine?
The IUPAC name of (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine (CID 124619658) is (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine.
What is the SMILES notation for (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine?
The canonical SMILES for (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine is CCOC[C@@H]1CCCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine?
The InChIKey is PLGWSVIIVIIJBP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-4-21-13-15-6-5-11-18(12-15)14(2)16-7-9-17(10-8-16)22(3,19)20/h7-10,14-15H,4-6,11-13H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine?
(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine has a molecular weight of 325.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine is sourced from PubChem (CID 124619658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).