N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine

C17H28N4O2 — CID 146145500

IUPACN,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine
SMILESCN(C)CC1CCCN(c2cc(OC3CCOCC3)ncn2)C1
InChIInChI=1S/C17H28N4O2/c1-20(2)11-14-4-3-7-21(12-14)16-10-17(19-13-18-16)23-15-5-8-22-9-6-15/h10,13-15H,3-9,11-12H2,1-2H3
InChIKeyNVUIJJSZARFZBN-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.81
Rot. Bonds5

About N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine

N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine (PubChem CID 146145500) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine
PubChem CID146145500
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine
SMILESCN(C)CC1CCCN(c2cc(OC3CCOCC3)ncn2)C1
InChIInChI=1S/C17H28N4O2/c1-20(2)11-14-4-3-7-21(12-14)16-10-17(19-13-18-16)23-15-5-8-22-9-6-15/h10,13-15H,3-9,11-12H2,1-2H3
InChIKeyNVUIJJSZARFZBN-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine (CID 146145500) is N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine is CN(C)CC1CCCN(c2cc(OC3CCOCC3)ncn2)C1.
What is the InChIKey of N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine?
The InChIKey is NVUIJJSZARFZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(2)11-14-4-3-7-21(12-14)16-10-17(19-13-18-16)23-15-5-8-22-9-6-15/h10,13-15H,3-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine?
N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine has a molecular weight of 320.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 146145500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).