N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine

C16H26N2S — CID 78998004

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
SMILESCN1CCC(CN(C)CCSc2ccccc2)CC1
InChIInChI=1S/C16H26N2S/c1-17-10-8-15(9-11-17)14-18(2)12-13-19-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGEINVHLKNSQTMK-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.05
Rot. Bonds6

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine (PubChem CID 78998004) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
PubChem CID78998004
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
SMILESCN1CCC(CN(C)CCSc2ccccc2)CC1
InChIInChI=1S/C16H26N2S/c1-17-10-8-15(9-11-17)14-18(2)12-13-19-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGEINVHLKNSQTMK-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-phenylpropanethioamide
CID 64536727
1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
CID 54881034
N-[(1-cyclopropylimidazol-2-yl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 91841929
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63236752

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine (CID 78998004) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine is CN1CCC(CN(C)CCSc2ccccc2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine?
The InChIKey is GEINVHLKNSQTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-17-10-8-15(9-11-17)14-18(2)12-13-19-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine is sourced from PubChem (CID 78998004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).