N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine

C14H24N2OS — CID 102968363

IUPACN-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCOC1CCCN(CCNCCc2ccsc2)C1
InChIInChI=1S/C14H24N2OS/c1-17-14-3-2-8-16(11-14)9-7-15-6-4-13-5-10-18-12-13/h5,10,12,14-15H,2-4,6-9,11H2,1H3
InChIKeyWIGHWHNKEWZCJR-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine

N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 102968363) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID102968363
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCOC1CCCN(CCNCCc2ccsc2)C1
InChIInChI=1S/C14H24N2OS/c1-17-14-3-2-8-16(11-14)9-7-15-6-4-13-5-10-18-12-13/h5,10,12,14-15H,2-4,6-9,11H2,1H3
InChIKeyWIGHWHNKEWZCJR-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
CID 104961122
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine (CID 102968363) is N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine is COC1CCCN(CCNCCc2ccsc2)C1.
What is the InChIKey of N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is WIGHWHNKEWZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-17-14-3-2-8-16(11-14)9-7-15-6-4-13-5-10-18-12-13/h5,10,12,14-15H,2-4,6-9,11H2,1H3.
What are the key properties of N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 268.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 102968363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).