1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride

C13H20ClFN2O2S — CID 120714805

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-15-13-3-2-8-16(9-13)19(17,18)10-11-4-6-12(14)7-5-11;/h4-7,13,15H,2-3,8-10H2,1H3;1H
InChIKeyGOVDDEONWDITTM-UHFFFAOYSA-N
MW322.83 g/mol
LogP1.76
Rot. Bonds4

About 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 120714805) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID120714805
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-15-13-3-2-8-16(9-13)19(17,18)10-11-4-6-12(14)7-5-11;/h4-7,13,15H,2-3,8-10H2,1H3;1H
InChIKeyGOVDDEONWDITTM-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
3-(2,5-dimethylpyrrolidin-1-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 75526438
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
(1-benzylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489941
3-[(4-fluorophenyl)methylsulfonyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989330
3-(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfonyl]azepane
CID 121146377
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 94061095
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
1-[3-[(3R)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
CID 92623829

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride (CID 120714805) is 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is GOVDDEONWDITTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-15-13-3-2-8-16(9-13)19(17,18)10-11-4-6-12(14)7-5-11;/h4-7,13,15H,2-3,8-10H2,1H3;1H.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 1.76, 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-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).