2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine

C18H24N2S — CID 83009317

IUPAC2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H24N2S/c1-14-7-6-8-15(2)20(14)19-12-18-11-17(13-21-18)16-9-4-3-5-10-16/h3-5,9-11,13-15,19H,6-8,12H2,1-2H3
InChIKeyRAHAFRSYPBXFTE-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.68
Rot. Bonds4

About 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine

2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine (PubChem CID 83009317) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
PubChem CID83009317
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H24N2S/c1-14-7-6-8-15(2)20(14)19-12-18-11-17(13-21-18)16-9-4-3-5-10-16/h3-5,9-11,13-15,19H,6-8,12H2,1-2H3
InChIKeyRAHAFRSYPBXFTE-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009935
1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine
CID 115615379
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
molecular hydrogen;trans-(1R,2R)-2,3,4,4-tetramethyl-N-[(4-phenylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 144611701
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103081741
N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 24896833
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 63278379
1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
CID 63298820
N-[(3-aminothiophen-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009439
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine (CID 83009317) is 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine is CC1CCCC(C)N1NCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine?
The InChIKey is RAHAFRSYPBXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14-7-6-8-15(2)20(14)19-12-18-11-17(13-21-18)16-9-4-3-5-10-16/h3-5,9-11,13-15,19H,6-8,12H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine?
2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83009317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).