1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

C13H24N2O2 — CID 175660425

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNCC1CCN(C(=O)CC2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-10-12-1-5-15(6-2-12)13(16)9-11-3-7-17-8-4-11/h11-12H,1-10,14H2
InChIKeyDNINYLNBYNTESB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds3

About 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 175660425) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID175660425
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNCC1CCN(C(=O)CC2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-10-12-1-5-15(6-2-12)13(16)9-11-3-7-17-8-4-11/h11-12H,1-10,14H2
InChIKeyDNINYLNBYNTESB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (CID 175660425) is 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is NCC1CCN(C(=O)CC2CCOCC2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is DNINYLNBYNTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-10-12-1-5-15(6-2-12)13(16)9-11-3-7-17-8-4-11/h11-12H,1-10,14H2.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 175660425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).