4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O — CID 136912685

IUPAC4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1(CN)CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H18N4O/c1-11(7-12)2-4-15(5-3-11)9-6-10(16)14-8-13-9/h6,8H,2-5,7,12H2,1H3,(H,13,14,16)
InChIKeyODCBYPNEKMSQOY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.34
Rot. Bonds2

About 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one

4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136912685) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136912685
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1(CN)CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H18N4O/c1-11(7-12)2-4-15(5-3-11)9-6-10(16)14-8-13-9/h6,8H,2-5,7,12H2,1H3,(H,13,14,16)
InChIKeyODCBYPNEKMSQOY-UHFFFAOYSA-N
XLogP0.34
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one (CID 136912685) is 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one is CC1(CN)CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ODCBYPNEKMSQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(7-12)2-4-15(5-3-11)9-6-10(16)14-8-13-9/h6,8H,2-5,7,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136912685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).