[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone

C13H24N2O2 — CID 80587134

IUPAC[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(CN)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-8-17-11-4-3-7-15(9-11)12(16)13(10-14)5-6-13/h11H,2-10,14H2,1H3
InChIKeyMKIUQFYIUMPWOW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds5

About [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone

[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone (PubChem CID 80587134) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
PubChem CID80587134
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(CN)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-8-17-11-4-3-7-15(9-11)12(16)13(10-14)5-6-13/h11H,2-10,14H2,1H3
InChIKeyMKIUQFYIUMPWOW-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone (CID 80587134) is [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)C2(CN)CC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is MKIUQFYIUMPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-8-17-11-4-3-7-15(9-11)12(16)13(10-14)5-6-13/h11H,2-10,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 80587134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).