N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine

C17H28N4O — CID 24732709

IUPACN-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCC3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-22-16-7-10-18-17(20-16)21-11-8-15(9-12-21)19-13-14-5-3-2-4-6-14/h7,10,14-15,19H,2-6,8-9,11-13H2,1H3
InChIKeyGXJZPMOREGPUAO-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.62
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine

N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine (PubChem CID 24732709) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine
PubChem CID24732709
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCC3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-22-16-7-10-18-17(20-16)21-11-8-15(9-12-21)19-13-14-5-3-2-4-6-14/h7,10,14-15,19H,2-6,8-9,11-13H2,1H3
InChIKeyGXJZPMOREGPUAO-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine (CID 24732709) is N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine is COc1ccnc(N2CCC(NCC3CCCCC3)CC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
The InChIKey is GXJZPMOREGPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-22-16-7-10-18-17(20-16)21-11-8-15(9-12-21)19-13-14-5-3-2-4-6-14/h7,10,14-15,19H,2-6,8-9,11-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 24732709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).