1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine

C16H28N2S — CID 62198523

IUPAC1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCN(C(c2ccc(C)s2)C(C)N)CC1
InChIInChI=1S/C16H28N2S/c1-4-5-14-8-10-18(11-9-14)16(13(3)17)15-7-6-12(2)19-15/h6-7,13-14,16H,4-5,8-11,17H2,1-3H3
InChIKeyZHNFXVSMNNWIDH-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.96
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine

1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine (PubChem CID 62198523) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
PubChem CID62198523
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCN(C(c2ccc(C)s2)C(C)N)CC1
InChIInChI=1S/C16H28N2S/c1-4-5-14-8-10-18(11-9-14)16(13(3)17)15-7-6-12(2)19-15/h6-7,13-14,16H,4-5,8-11,17H2,1-3H3
InChIKeyZHNFXVSMNNWIDH-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine (CID 62198523) is 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine is CCCC1CCN(C(c2ccc(C)s2)C(C)N)CC1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is ZHNFXVSMNNWIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-5-14-8-10-18(11-9-14)16(13(3)17)15-7-6-12(2)19-15/h6-7,13-14,16H,4-5,8-11,17H2,1-3H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 62198523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).