N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

C15H26N2OS — CID 107555866

IUPACN-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCOC1CCN(Cc2ccc(CNC(C)C)s2)CC1
InChIInChI=1S/C15H26N2OS/c1-12(2)16-10-14-4-5-15(19-14)11-17-8-6-13(18-3)7-9-17/h4-5,12-13,16H,6-11H2,1-3H3
InChIKeyNPUGODQISVAOGL-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.86
Rot. Bonds6

About N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107555866) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107555866
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCOC1CCN(Cc2ccc(CNC(C)C)s2)CC1
InChIInChI=1S/C15H26N2OS/c1-12(2)16-10-14-4-5-15(19-14)11-17-8-6-13(18-3)7-9-17/h4-5,12-13,16H,6-11H2,1-3H3
InChIKeyNPUGODQISVAOGL-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555391
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557672
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555415
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555984
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556740
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557592
N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963
1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 77090707
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556334
N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107555866) is N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine is COC1CCN(Cc2ccc(CNC(C)C)s2)CC1.
What is the InChIKey of N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is NPUGODQISVAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(2)16-10-14-4-5-15(19-14)11-17-8-6-13(18-3)7-9-17/h4-5,12-13,16H,6-11H2,1-3H3.
What are the key properties of N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107555866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).