(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine

C14H18FNO2S — CID 95724978

IUPAC(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
SMILESO=S(=O)(C1CC1)N1CCCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2S/c15-12-6-4-11(5-7-12)14-3-1-2-10-16(14)19(17,18)13-8-9-13/h4-7,13-14H,1-3,8-10H2/t14-/m1/s1
InChIKeyAKCXEKQDVITLRU-CQSZACIVSA-N
MW283.37 g/mol
LogP2.84
Rot. Bonds3

About (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine

(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine (PubChem CID 95724978) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
PubChem CID95724978
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
SMILESO=S(=O)(C1CC1)N1CCCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2S/c15-12-6-4-11(5-7-12)14-3-1-2-10-16(14)19(17,18)13-8-9-13/h4-7,13-14H,1-3,8-10H2/t14-/m1/s1
InChIKeyAKCXEKQDVITLRU-CQSZACIVSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 134022396
1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
CID 95724807
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
CID 32676827
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 51611902
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
2-(4-fluorophenyl)-1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CID 55599013
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109

Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine?
The IUPAC name of (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine (CID 95724978) is (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine.
What is the SMILES notation for (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine?
The canonical SMILES for (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine is O=S(=O)(C1CC1)N1CCCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine?
The InChIKey is AKCXEKQDVITLRU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-6-4-11(5-7-12)14-3-1-2-10-16(14)19(17,18)13-8-9-13/h4-7,13-14H,1-3,8-10H2/t14-/m1/s1.
What are the key properties of (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine?
(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine has a molecular weight of 283.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine is sourced from PubChem (CID 95724978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).