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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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine
CID 2155093
6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine
CID 94145823
4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 133315934
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133315978
6-[(3S,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-7H-purine;dihydrochloride
CID 171330744
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 111814540
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-methylbutane-1-sulfonamide
CID 86959910

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).