N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine

C15H26N2S — CID 79045109

IUPACN-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
SMILESCCNC(c1ccsc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H26N2S/c1-4-16-14(13-8-11-18-12-13)15(2,3)17-9-6-5-7-10-17/h8,11-12,14,16H,4-7,9-10H2,1-3H3
InChIKeyKHCUBUIQQGODAO-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine

N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine (PubChem CID 79045109) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
PubChem CID79045109
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
SMILESCCNC(c1ccsc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H26N2S/c1-4-16-14(13-8-11-18-12-13)15(2,3)17-9-6-5-7-10-17/h8,11-12,14,16H,4-7,9-10H2,1-3H3
InChIKeyKHCUBUIQQGODAO-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine (CID 79045109) is N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine is CCNC(c1ccsc1)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is KHCUBUIQQGODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-16-14(13-8-11-18-12-13)15(2,3)17-9-6-5-7-10-17/h8,11-12,14,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine?
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 79045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).