2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone

C14H27N3O2 — CID 112622497

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOC1CCN(CC(=O)N2CCCCC2)C(CN)C1
InChIInChI=1S/C14H27N3O2/c1-19-13-5-8-17(12(9-13)10-15)11-14(18)16-6-3-2-4-7-16/h12-13H,2-11,15H2,1H3
InChIKeyNXCRMSALAUZHQY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 112622497) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID112622497
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOC1CCN(CC(=O)N2CCCCC2)C(CN)C1
InChIInChI=1S/C14H27N3O2/c1-19-13-5-8-17(12(9-13)10-15)11-14(18)16-6-3-2-4-7-16/h12-13H,2-11,15H2,1H3
InChIKeyNXCRMSALAUZHQY-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
CID 112622714
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
CID 112622716
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
CID 112622625
1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 103442118
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclohexan-1-ol
CID 112622604
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone (CID 112622497) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone is COC1CCN(CC(=O)N2CCCCC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is NXCRMSALAUZHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-13-5-8-17(12(9-13)10-15)11-14(18)16-6-3-2-4-7-16/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 112622497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).