1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine

C12H26N2S — CID 115741392

IUPAC1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
SMILESCCSCCCN1CCC(CNC)CC1
InChIInChI=1S/C12H26N2S/c1-3-15-10-4-7-14-8-5-12(6-9-14)11-13-2/h12-13H,3-11H2,1-2H3
InChIKeyMQXREYQUCIKZCD-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds7

About 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 115741392) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID115741392
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
SMILESCCSCCCN1CCC(CNC)CC1
InChIInChI=1S/C12H26N2S/c1-3-15-10-4-7-14-8-5-12(6-9-14)11-13-2/h12-13H,3-11H2,1-2H3
InChIKeyMQXREYQUCIKZCD-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
CID 115741267
1-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
[1-(2-ethylsulfanylethyl)piperidin-4-yl]methanol
CID 111432876
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
1-butyl-N-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 113373351
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65161247
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine (CID 115741392) is 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine is CCSCCCN1CCC(CNC)CC1.
What is the InChIKey of 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is MQXREYQUCIKZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-15-10-4-7-14-8-5-12(6-9-14)11-13-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 115741392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).