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

C13H25N3O2 — CID 112622666

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOC1CCN(CC(=O)N2CCCC2)C(CN)C1
InChIInChI=1S/C13H25N3O2/c1-18-12-4-7-16(11(8-12)9-14)10-13(17)15-5-2-3-6-15/h11-12H,2-10,14H2,1H3
InChIKeySTHVRRUUMBGBBP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds4

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

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 112622666) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID112622666
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOC1CCN(CC(=O)N2CCCC2)C(CN)C1
InChIInChI=1S/C13H25N3O2/c1-18-12-4-7-16(11(8-12)9-14)10-13(17)15-5-2-3-6-15/h11-12H,2-10,14H2,1H3
InChIKeySTHVRRUUMBGBBP-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
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)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
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
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 103442118
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 112622666) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone is COC1CCN(CC(=O)N2CCCC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is STHVRRUUMBGBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-18-12-4-7-16(11(8-12)9-14)10-13(17)15-5-2-3-6-15/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 255.36 g/mol, XLogP of 0.05, 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-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112622666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).