1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine

C14H21FN2O2S — CID 115304816

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-14(16-2)7-9-17(10-8-14)20(18,19)11-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyLZOOLHQNQUKLSZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.73
Rot. Bonds4

About 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine

1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304816) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304816
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-14(16-2)7-9-17(10-8-14)20(18,19)11-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyLZOOLHQNQUKLSZ-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35398957
8-[(4-fluorophenyl)methylsulfonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110713863
3-ethyl-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3-carboxylic acid
CID 63149488
1-[1-(4-fluorophenyl)propan-2-yl]-N,4-dimethylpiperidin-4-amine
CID 114794766
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
4-[(4-fluorophenyl)methylsulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811162
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
N,4-dimethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 115304775

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine (CID 115304816) is 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is LZOOLHQNQUKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-14(16-2)7-9-17(10-8-14)20(18,19)11-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine?
1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 300.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).