1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine

C14H20F2N2O2S — CID 63852993

IUPAC1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C14H20F2N2O2S/c1-10(17)11-3-2-8-18(9-11)12-4-6-13(7-5-12)21(19,20)14(15)16/h4-7,10-11,14H,2-3,8-9,17H2,1H3
InChIKeyOXORHJHRICKEBD-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.25
Rot. Bonds4

About 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine

1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine (PubChem CID 63852993) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
PubChem CID63852993
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C14H20F2N2O2S/c1-10(17)11-3-2-8-18(9-11)12-4-6-13(7-5-12)21(19,20)14(15)16/h4-7,10-11,14H,2-3,8-9,17H2,1H3
InChIKeyOXORHJHRICKEBD-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454
1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
CID 55257621
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
1-[4-(difluoromethylsulfonyl)phenyl]-3-ethoxypiperidine
CID 133274305
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one
CID 133314231
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63854393
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
CID 133287695
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine (CID 63852993) is 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1.
What is the InChIKey of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine?
The InChIKey is OXORHJHRICKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10(17)11-3-2-8-18(9-11)12-4-6-13(7-5-12)21(19,20)14(15)16/h4-7,10-11,14H,2-3,8-9,17H2,1H3.
What are the key properties of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine?
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine has a molecular weight of 318.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63852993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).