1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine

C16H26N2S — CID 54881034

IUPAC1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCC(NCCSc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C16H26N2S/c1-14(15-8-11-18(2)12-9-15)17-10-13-19-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyBCCZDOOBZWHFIV-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.10
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine

1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 54881034) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID54881034
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCC(NCCSc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C16H26N2S/c1-14(15-8-11-18(2)12-9-15)17-10-13-19-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyBCCZDOOBZWHFIV-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.10
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

(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
N-[2-(3-chlorophenyl)sulfanylethyl]-1-cyclopropylethanamine
CID 62646836
4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
CID 83020816
1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
CID 55090114
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
CID 43685360
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
1-N-ethyl-1-N-methyl-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 103109593
(2S)-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 104867871

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine (CID 54881034) is 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine is CC(NCCSc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is BCCZDOOBZWHFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-14(15-8-11-18(2)12-9-15)17-10-13-19-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine?
1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 54881034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).