1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine

C15H17ClN4O — CID 117224499

IUPAC1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2ncc(Oc3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C15H17ClN4O/c16-11-2-1-3-13(8-11)21-14-9-18-15(19-10-14)20-6-4-12(17)5-7-20/h1-3,8-10,12H,4-7,17H2
InChIKeyRCAPLJFBGSKCCF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.85
Rot. Bonds3

About 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine

1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 117224499) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine
PubChem CID117224499
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2ncc(Oc3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C15H17ClN4O/c16-11-2-1-3-13(8-11)21-14-9-18-15(19-10-14)20-6-4-12(17)5-7-20/h1-3,8-10,12H,4-7,17H2
InChIKeyRCAPLJFBGSKCCF-UHFFFAOYSA-N
XLogP2.85
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine (CID 117224499) is 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine is NC1CCN(c2ncc(Oc3cccc(Cl)c3)cn2)CC1.
What is the InChIKey of 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is RCAPLJFBGSKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-11-2-1-3-13(8-11)21-14-9-18-15(19-10-14)20-6-4-12(17)5-7-20/h1-3,8-10,12H,4-7,17H2.
What are the key properties of 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine?
1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 304.78 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenoxy)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 117224499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).