1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine

C14H21FN2O2S — CID 63596216

IUPAC1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11(16)13-6-8-17(9-7-13)20(18,19)10-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3
InChIKeyKWQNMEWVHNFYQD-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.71
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine

1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine (PubChem CID 63596216) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
PubChem CID63596216
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11(16)13-6-8-17(9-7-13)20(18,19)10-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3
InChIKeyKWQNMEWVHNFYQD-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
1-[1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 119975090
1-[1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119975089
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 119974717
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975061
(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
CID 97039297
3-[(4-fluorophenyl)methylsulfonyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989330
1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 110399069

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine (CID 63596216) is 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
The InChIKey is KWQNMEWVHNFYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11(16)13-6-8-17(9-7-13)20(18,19)10-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine?
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine has a molecular weight of 300.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63596216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).