4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one

C11H17N3O — CID 22052467

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESNCC1CCN(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C11H17N3O/c12-8-9-2-5-14(6-3-9)10-1-4-13-11(15)7-10/h1,4,7,9H,2-3,5-6,8,12H2,(H,13,15)
InChIKeyIKHQJXWVVCCNJD-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds2

About 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one

4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one (PubChem CID 22052467) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one
PubChem CID22052467
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESNCC1CCN(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C11H17N3O/c12-8-9-2-5-14(6-3-9)10-1-4-13-11(15)7-10/h1,4,7,9H,2-3,5-6,8,12H2,(H,13,15)
InChIKeyIKHQJXWVVCCNJD-UHFFFAOYSA-N
XLogP0.55
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one (CID 22052467) is 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one is NCC1CCN(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one?
The InChIKey is IKHQJXWVVCCNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-8-9-2-5-14(6-3-9)10-1-4-13-11(15)7-10/h1,4,7,9H,2-3,5-6,8,12H2,(H,13,15).
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one?
4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 22052467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).