[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine

C14H22N2S — CID 82026904

IUPAC[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine
SMILESCSc1ccccc1C1(CN)CCN(C)CC1
InChIInChI=1S/C14H22N2S/c1-16-9-7-14(11-15,8-10-16)12-5-3-4-6-13(12)17-2/h3-6H,7-11,15H2,1-2H3
InChIKeyBCSMEOSMDOJVNA-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.33
Rot. Bonds3

About [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine

[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine (PubChem CID 82026904) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine
PubChem CID82026904
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine
SMILESCSc1ccccc1C1(CN)CCN(C)CC1
InChIInChI=1S/C14H22N2S/c1-16-9-7-14(11-15,8-10-16)12-5-3-4-6-13(12)17-2/h3-6H,7-11,15H2,1-2H3
InChIKeyBCSMEOSMDOJVNA-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
[4-(2-methylphenyl)-1-(2-methylpropyl)piperidin-4-yl]methanamine
CID 82301958
methyl N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]carbamate
CID 110477808
[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine
CID 117408838
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
CID 84725142
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine (CID 82026904) is [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine is CSc1ccccc1C1(CN)CCN(C)CC1.
What is the InChIKey of [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine?
The InChIKey is BCSMEOSMDOJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16-9-7-14(11-15,8-10-16)12-5-3-4-6-13(12)17-2/h3-6H,7-11,15H2,1-2H3.
What are the key properties of [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine?
[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine has a molecular weight of 250.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 82026904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).