[1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol

C18H24N4O2 — CID 56759996

IUPAC[1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(c3cc(N)ncn3)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-15-4-2-14(3-5-15)11-18(12-23)6-8-22(9-7-18)17-10-16(19)20-13-21-17/h2-5,10,13,23H,6-9,11-12H2,1H3,(H2,19,20,21)
InChIKeyUFKHEFKSVJSOEK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.89
Rot. Bonds5

About [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol

[1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 56759996) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID56759996
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(c3cc(N)ncn3)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-15-4-2-14(3-5-15)11-18(12-23)6-8-22(9-7-18)17-10-16(19)20-13-21-17/h2-5,10,13,23H,6-9,11-12H2,1H3,(H2,19,20,21)
InChIKeyUFKHEFKSVJSOEK-UHFFFAOYSA-N
XLogP1.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol (CID 56759996) is [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol is COc1ccc(CC2(CO)CCN(c3cc(N)ncn3)CC2)cc1.
What is the InChIKey of [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is UFKHEFKSVJSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-15-4-2-14(3-5-15)11-18(12-23)6-8-22(9-7-18)17-10-16(19)20-13-21-17/h2-5,10,13,23H,6-9,11-12H2,1H3,(H2,19,20,21).
What are the key properties of [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
[1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminopyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56759996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).