1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine

C17H26N2S — CID 60927104

IUPAC1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine
SMILESC=CCSc1ccccc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H26N2S/c1-4-13-20-17-8-6-5-7-16(17)18-15-9-11-19(12-10-15)14(2)3/h4-8,14-15,18H,1,9-13H2,2-3H3
InChIKeyRGSBBLUHDUOXEH-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.25
Rot. Bonds6

About 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine

1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine (PubChem CID 60927104) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine
PubChem CID60927104
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine
SMILESC=CCSc1ccccc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H26N2S/c1-4-13-20-17-8-6-5-7-16(17)18-15-9-11-19(12-10-15)14(2)3/h4-8,14-15,18H,1,9-13H2,2-3H3
InChIKeyRGSBBLUHDUOXEH-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
CID 60927749
N-(3,4-dimethylcyclohexyl)-2-prop-2-enylsulfanylaniline
CID 64747196
1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine
CID 115904201
N-(1-cyclopentylethyl)-2-prop-2-enylsulfanylaniline
CID 55191581
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
N-butan-2-yl-2-prop-2-enylsulfanylaniline
CID 60927744
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine (CID 60927104) is 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine is C=CCSc1ccccc1NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine?
The InChIKey is RGSBBLUHDUOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-4-13-20-17-8-6-5-7-16(17)18-15-9-11-19(12-10-15)14(2)3/h4-8,14-15,18H,1,9-13H2,2-3H3.
What are the key properties of 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine?
1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine has a molecular weight of 290.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine is sourced from PubChem (CID 60927104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).