N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine

C19H24N6O — CID 133315969

IUPACN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine
SMILESCOc1ccc(C2C(CNc3ncnc4nc[nH]c34)CCCN2C)cc1
InChIInChI=1S/C19H24N6O/c1-25-9-3-4-14(17(25)13-5-7-15(26-2)8-6-13)10-20-18-16-19(22-11-21-16)24-12-23-18/h5-8,11-12,14,17H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyFSOHBKHKVYKWAX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.86
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine (PubChem CID 133315969) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine
PubChem CID133315969
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine
SMILESCOc1ccc(C2C(CNc3ncnc4nc[nH]c34)CCCN2C)cc1
InChIInChI=1S/C19H24N6O/c1-25-9-3-4-14(17(25)13-5-7-15(26-2)8-6-13)10-20-18-16-19(22-11-21-16)24-12-23-18/h5-8,11-12,14,17H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyFSOHBKHKVYKWAX-UHFFFAOYSA-N
XLogP2.86
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine (CID 133315969) is N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine is COc1ccc(C2C(CNc3ncnc4nc[nH]c34)CCCN2C)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine?
The InChIKey is FSOHBKHKVYKWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-25-9-3-4-14(17(25)13-5-7-15(26-2)8-6-13)10-20-18-16-19(22-11-21-16)24-12-23-18/h5-8,11-12,14,17H,3-4,9-10H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine?
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine has a molecular weight of 352.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 133315969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).