1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine

C14H22N4O — CID 126849299

IUPAC1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cc(C3CCOCC3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c15-12-1-5-18(6-2-12)14-9-13(16-10-17-14)11-3-7-19-8-4-11/h9-12H,1-8,15H2
InChIKeyGKXGQWCIXVJLAP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.30
Rot. Bonds2

About 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine

1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine (PubChem CID 126849299) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
PubChem CID126849299
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cc(C3CCOCC3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c15-12-1-5-18(6-2-12)14-9-13(16-10-17-14)11-3-7-19-8-4-11/h9-12H,1-8,15H2
InChIKeyGKXGQWCIXVJLAP-UHFFFAOYSA-N
XLogP1.30
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine (CID 126849299) is 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine is NC1CCN(c2cc(C3CCOCC3)ncn2)CC1.
What is the InChIKey of 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine?
The InChIKey is GKXGQWCIXVJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-1-5-18(6-2-12)14-9-13(16-10-17-14)11-3-7-19-8-4-11/h9-12H,1-8,15H2.
What are the key properties of 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine?
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 126849299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).