[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone

C14H23N3O — CID 103440844

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
SMILESCCn1cccc1C(=O)N1CCC(C)CC1CN
InChIInChI=1S/C14H23N3O/c1-3-16-7-4-5-13(16)14(18)17-8-6-11(2)9-12(17)10-15/h4-5,7,11-12H,3,6,8-10,15H2,1-2H3
InChIKeyQILULMKYWRWGCO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds3

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone (PubChem CID 103440844) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
PubChem CID103440844
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
SMILESCCn1cccc1C(=O)N1CCC(C)CC1CN
InChIInChI=1S/C14H23N3O/c1-3-16-7-4-5-13(16)14(18)17-8-6-11(2)9-12(17)10-15/h4-5,7,11-12H,3,6,8-10,15H2,1-2H3
InChIKeyQILULMKYWRWGCO-UHFFFAOYSA-N
XLogP1.71
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone (CID 103440844) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone is CCn1cccc1C(=O)N1CCC(C)CC1CN.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
The InChIKey is QILULMKYWRWGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-16-7-4-5-13(16)14(18)17-8-6-11(2)9-12(17)10-15/h4-5,7,11-12H,3,6,8-10,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone is sourced from PubChem (CID 103440844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).