1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

C17H22N2S — CID 27901

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IUPAC1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2cccs2)c2ccccc2)CC1
InChIInChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3
InChIKeyKLOHYVOVXOUKQI-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.85
Rot. Bonds4

About 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 27901) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID27901
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2cccs2)c2ccccc2)CC1
InChIInChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3
InChIKeyKLOHYVOVXOUKQI-UHFFFAOYSA-N
XLogP3.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 27901) is 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine is CN1CCC(N(Cc2cccs2)c2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is KLOHYVOVXOUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3.
What are the key properties of 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 286.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 27901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).