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

C16H26N2S — CID 63249243

IUPACN-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C(C)c1ccc(SC)cc1
InChIInChI=1S/C16H26N2S/c1-13(14-7-9-16(19-3)10-8-14)18-11-5-4-6-15(18)12-17-2/h7-10,13,15,17H,4-6,11-12H2,1-3H3
InChIKeyCPTICFSSWJVUBG-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.54
Rot. Bonds5

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

N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 63249243) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
PubChem CID63249243
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC NameN-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C(C)c1ccc(SC)cc1
InChIInChI=1S/C16H26N2S/c1-13(14-7-9-16(19-3)10-8-14)18-11-5-4-6-15(18)12-17-2/h7-10,13,15,17H,4-6,11-12H2,1-3H3
InChIKeyCPTICFSSWJVUBG-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
N-methyl-1-[1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316091
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249528
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine (CID 63249243) is N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine is CNCC1CCCCN1C(C)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is CPTICFSSWJVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13(14-7-9-16(19-3)10-8-14)18-11-5-4-6-15(18)12-17-2/h7-10,13,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 278.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63249243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).