1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine

C16H26N2OS — CID 115896173

IUPAC1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
SMILESCC(CNC1CCCN(Cc2ccccc2)C1)S(C)=O
InChIInChI=1S/C16H26N2OS/c1-14(20(2)19)11-17-16-9-6-10-18(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyOSEPXXMSOKVTSL-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.01
Rot. Bonds6

About 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine

1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine (PubChem CID 115896173) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
PubChem CID115896173
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
SMILESCC(CNC1CCCN(Cc2ccccc2)C1)S(C)=O
InChIInChI=1S/C16H26N2OS/c1-14(20(2)19)11-17-16-9-6-10-18(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyOSEPXXMSOKVTSL-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.01
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-methyl-3-methylsulfanylpropyl)piperidin-3-amine
CID 63983866
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine (CID 115896173) is 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine is CC(CNC1CCCN(Cc2ccccc2)C1)S(C)=O.
What is the InChIKey of 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine?
The InChIKey is OSEPXXMSOKVTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-14(20(2)19)11-17-16-9-6-10-18(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine?
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine has a molecular weight of 294.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine is sourced from PubChem (CID 115896173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).