N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine

C16H20N4 — CID 3059129

IUPACN-(1-benzylpiperidin-4-yl)pyrimidin-2-amine
SMILESc1ccc(CN2CCC(Nc3ncccn3)CC2)cc1
InChIInChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-20-11-7-15(8-12-20)19-16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2,(H,17,18,19)
InChIKeyOATGOOHGVPUVME-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.55
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine

N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 3059129) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID3059129
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-(1-benzylpiperidin-4-yl)pyrimidin-2-amine
SMILESc1ccc(CN2CCC(Nc3ncccn3)CC2)cc1
InChIInChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-20-11-7-15(8-12-20)19-16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2,(H,17,18,19)
InChIKeyOATGOOHGVPUVME-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine (CID 3059129) is N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine is c1ccc(CN2CCC(Nc3ncccn3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is OATGOOHGVPUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-20-11-7-15(8-12-20)19-16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2,(H,17,18,19).
What are the key properties of N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine?
N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 3059129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).