1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine

C17H28N2S — CID 63983866

IUPAC1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
SMILESCSCC(C)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2S/c1-15(14-20-2)11-18-17-9-6-10-19(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3
InChIKeyIRXDRGQAYUHJHJ-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.24
Rot. Bonds7

About 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine

1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine (PubChem CID 63983866) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
PubChem CID63983866
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
SMILESCSCC(C)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2S/c1-15(14-20-2)11-18-17-9-6-10-19(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3
InChIKeyIRXDRGQAYUHJHJ-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine (CID 63983866) is 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine is CSCC(C)CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine?
The InChIKey is IRXDRGQAYUHJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-15(14-20-2)11-18-17-9-6-10-19(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3.
What are the key properties of 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine?
1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine has a molecular weight of 292.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine is sourced from PubChem (CID 63983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).