1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine

C15H24N2OS — CID 115654108

IUPAC1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
SMILESCS(=O)CCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2OS/c1-19(18)12-9-16-15-7-10-17(11-8-15)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyKGEIJFLJNPGMEP-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.62
Rot. Bonds6

About 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine

1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine (PubChem CID 115654108) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
PubChem CID115654108
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
SMILESCS(=O)CCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2OS/c1-19(18)12-9-16-15-7-10-17(11-8-15)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyKGEIJFLJNPGMEP-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 115699248
1-benzyl-N-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
3-[2-[(1-benzylpiperidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103699229
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine (CID 115654108) is 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine is CS(=O)CCNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine?
The InChIKey is KGEIJFLJNPGMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-19(18)12-9-16-15-7-10-17(11-8-15)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3.
What are the key properties of 1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine?
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 1.62, 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-methylsulfinylethyl)piperidin-4-amine is sourced from PubChem (CID 115654108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).