1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine

C19H29FN2O2S — CID 134710382

IUPAC1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine
SMILESCc1cc(F)ccc1N1CCC(N2CCCC(CS(C)(=O)=O)C2)CC1
InChIInChI=1S/C19H29FN2O2S/c1-15-12-17(20)5-6-19(15)21-10-7-18(8-11-21)22-9-3-4-16(13-22)14-25(2,23)24/h5-6,12,16,18H,3-4,7-11,13-14H2,1-2H3
InChIKeyNFMWRLGNMYUTGB-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.86
Rot. Bonds4

About 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine

1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine (PubChem CID 134710382) has the molecular formula C19H29FN2O2S and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine
PubChem CID134710382
Molecular FormulaC19H29FN2O2S
Molecular Weight368.52 g/mol
Exact Mass368.19
IUPAC Name1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine
SMILESCc1cc(F)ccc1N1CCC(N2CCCC(CS(C)(=O)=O)C2)CC1
InChIInChI=1S/C19H29FN2O2S/c1-15-12-17(20)5-6-19(15)21-10-7-18(8-11-21)22-9-3-4-16(13-22)14-25(2,23)24/h5-6,12,16,18H,3-4,7-11,13-14H2,1-2H3
InChIKeyNFMWRLGNMYUTGB-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine?
The IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine (CID 134710382) is 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine is Cc1cc(F)ccc1N1CCC(N2CCCC(CS(C)(=O)=O)C2)CC1.
What is the InChIKey of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine?
The InChIKey is NFMWRLGNMYUTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2S/c1-15-12-17(20)5-6-19(15)21-10-7-18(8-11-21)22-9-3-4-16(13-22)14-25(2,23)24/h5-6,12,16,18H,3-4,7-11,13-14H2,1-2H3.
What are the key properties of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine?
1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine has a molecular weight of 368.52 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 134710382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).