N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine

C13H22N2S — CID 115876746

IUPACN-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine
SMILESCC(C)CNC1CCN(c2cccs2)CC1
InChIInChI=1S/C13H22N2S/c1-11(2)10-14-12-5-7-15(8-6-12)13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyYPNDMHUESGKKPP-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.96
Rot. Bonds4

About N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine

N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine (PubChem CID 115876746) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine
PubChem CID115876746
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine
SMILESCC(C)CNC1CCN(c2cccs2)CC1
InChIInChI=1S/C13H22N2S/c1-11(2)10-14-12-5-7-15(8-6-12)13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyYPNDMHUESGKKPP-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine (CID 115876746) is N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine is CC(C)CNC1CCN(c2cccs2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine?
The InChIKey is YPNDMHUESGKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(2)10-14-12-5-7-15(8-6-12)13-4-3-9-16-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine?
N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine is sourced from PubChem (CID 115876746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).