1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine

C14H21FN2S — CID 62545645

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2S/c1-16-13-3-2-8-17(11-13)9-10-18-14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyOXMYZCZVXJKBAO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine

1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine (PubChem CID 62545645) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
PubChem CID62545645
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2S/c1-16-13-3-2-8-17(11-13)9-10-18-14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyOXMYZCZVXJKBAO-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
CID 113282005
3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492388
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
CID 115741362
1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
CID 120837970
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
CID 119919434
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol
CID 79841047
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine (CID 62545645) is 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine is CNC1CCCN(CCSc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine?
The InChIKey is OXMYZCZVXJKBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-16-13-3-2-8-17(11-13)9-10-18-14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine?
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine has a molecular weight of 268.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 62545645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).