1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

C14H27N3O — CID 115270563

IUPAC1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCCC2(C)CN)CC1
InChIInChI=1S/C14H27N3O/c1-14(11-15)6-3-7-17(14)13(18)10-12-4-8-16(2)9-5-12/h12H,3-11,15H2,1-2H3
InChIKeyDNNFVKRAQSYBSF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 115270563) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID115270563
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCCC2(C)CN)CC1
InChIInChI=1S/C14H27N3O/c1-14(11-15)6-3-7-17(14)13(18)10-12-4-8-16(2)9-5-12/h12H,3-11,15H2,1-2H3
InChIKeyDNNFVKRAQSYBSF-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 115270562
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 115270742
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115275797
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115276675
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 115270557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (CID 115270563) is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)N2CCCC2(C)CN)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is DNNFVKRAQSYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(11-15)6-3-7-17(14)13(18)10-12-4-8-16(2)9-5-12/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 115270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).