[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone

C13H24N2O — CID 80552587

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCCNCC1CCN(C(=O)C2CC2C)CC1
InChIInChI=1S/C13H24N2O/c1-3-14-9-11-4-6-15(7-5-11)13(16)12-8-10(12)2/h10-12,14H,3-9H2,1-2H3
InChIKeyLXCCFRZLKGXAAS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 80552587) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID80552587
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCCNCC1CCN(C(=O)C2CC2C)CC1
InChIInChI=1S/C13H24N2O/c1-3-14-9-11-4-6-15(7-5-11)13(16)12-8-10(12)2/h10-12,14H,3-9H2,1-2H3
InChIKeyLXCCFRZLKGXAAS-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551690
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 114093135
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone (CID 80552587) is [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone is CCNCC1CCN(C(=O)C2CC2C)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is LXCCFRZLKGXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-14-9-11-4-6-15(7-5-11)13(16)12-8-10(12)2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 80552587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).