1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine

C16H28N2S — CID 103777050

IUPAC1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
SMILESCC(C)CN1CCC(NC(C)Cc2ccsc2)CC1
InChIInChI=1S/C16H28N2S/c1-13(2)11-18-7-4-16(5-8-18)17-14(3)10-15-6-9-19-12-15/h6,9,12-14,16-17H,4-5,7-8,10-11H2,1-3H3
InChIKeyDAYUEMFRCVHQGR-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine

1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine (PubChem CID 103777050) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
PubChem CID103777050
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
SMILESCC(C)CN1CCC(NC(C)Cc2ccsc2)CC1
InChIInChI=1S/C16H28N2S/c1-13(2)11-18-7-4-16(5-8-18)17-14(3)10-15-6-9-19-12-15/h6,9,12-14,16-17H,4-5,7-8,10-11H2,1-3H3
InChIKeyDAYUEMFRCVHQGR-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine (CID 103777050) is 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine is CC(C)CN1CCC(NC(C)Cc2ccsc2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
The InChIKey is DAYUEMFRCVHQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)11-18-7-4-16(5-8-18)17-14(3)10-15-6-9-19-12-15/h6,9,12-14,16-17H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine?
1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 103777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).