1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone

C12H22N2O2 — CID 119469675

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
SMILESNCC1CCCCN1C(=O)COCC1CC1
InChIInChI=1S/C12H22N2O2/c13-7-11-3-1-2-6-14(11)12(15)9-16-8-10-4-5-10/h10-11H,1-9,13H2
InChIKeyCHUKVEJTPBAWRS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds5

About 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone

1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone (PubChem CID 119469675) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
PubChem CID119469675
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
SMILESNCC1CCCCN1C(=O)COCC1CC1
InChIInChI=1S/C12H22N2O2/c13-7-11-3-1-2-6-14(11)12(15)9-16-8-10-4-5-10/h10-11H,1-9,13H2
InChIKeyCHUKVEJTPBAWRS-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
CID 119469700
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 113265479
1-[2-(aminomethyl)azepan-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103213013
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 126791024
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119468976

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone (CID 119469675) is 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone is NCC1CCCCN1C(=O)COCC1CC1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
The InChIKey is CHUKVEJTPBAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-7-11-3-1-2-6-14(11)12(15)9-16-8-10-4-5-10/h10-11H,1-9,13H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone is sourced from PubChem (CID 119469675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).