2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine

C14H24N2OS — CID 62592940

IUPAC2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H24N2OS/c1-17-8-5-15-10-13-2-6-16(7-3-13)11-14-4-9-18-12-14/h4,9,12-13,15H,2-3,5-8,10-11H2,1H3
InChIKeyZBPKCLINLJCPAX-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.20
Rot. Bonds7

About 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 62592940) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID62592940
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H24N2OS/c1-17-8-5-15-10-13-2-6-16(7-3-13)11-14-4-9-18-12-14/h4,9,12-13,15H,2-3,5-8,10-11H2,1H3
InChIKeyZBPKCLINLJCPAX-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 62591709
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
1-(2-phenoxyethyl)-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 71796742
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362713
4-(bromomethyl)-1-(thiophen-3-ylmethyl)azepane
CID 131162358

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine (CID 62592940) is 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine is COCCNCC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZBPKCLINLJCPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-17-8-5-15-10-13-2-6-16(7-3-13)11-14-4-9-18-12-14/h4,9,12-13,15H,2-3,5-8,10-11H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62592940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).