N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine

C19H26N2S — CID 45251301

IUPACN-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2ccsc2)C1
InChIInChI=1S/C19H26N2S/c1-20(12-9-17-6-3-2-4-7-17)19-8-5-11-21(15-19)14-18-10-13-22-16-18/h2-4,6-7,10,13,16,19H,5,8-9,11-12,14-15H2,1H3
InChIKeyXQMYUCZGLJJCAJ-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.89
Rot. Bonds6

About N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine

N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine (PubChem CID 45251301) has the molecular formula C19H26N2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine
PubChem CID45251301
Molecular FormulaC19H26N2S
Molecular Weight314.50 g/mol
Exact Mass314.18
IUPAC NameN-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2ccsc2)C1
InChIInChI=1S/C19H26N2S/c1-20(12-9-17-6-3-2-4-7-17)19-8-5-11-21(15-19)14-18-10-13-22-16-18/h2-4,6-7,10,13,16,19H,5,8-9,11-12,14-15H2,1H3
InChIKeyXQMYUCZGLJJCAJ-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine (CID 45251301) is N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(Cc2ccsc2)C1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine?
The InChIKey is XQMYUCZGLJJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S/c1-20(12-9-17-6-3-2-4-7-17)19-8-5-11-21(15-19)14-18-10-13-22-16-18/h2-4,6-7,10,13,16,19H,5,8-9,11-12,14-15H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine?
N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine has a molecular weight of 314.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-1-(thiophen-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 45251301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).