1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol

C18H23ClN4O — CID 56710901

IUPAC1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nc(CCN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H23ClN4O/c1-13-21-16(6-9-20)12-17(22-13)23-10-7-18(24,8-11-23)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11,20H2,1H3
InChIKeyFZLXLEHSXBQMMS-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.43
Rot. Bonds4

About 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol

1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 56710901) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID56710901
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nc(CCN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H23ClN4O/c1-13-21-16(6-9-20)12-17(22-13)23-10-7-18(24,8-11-23)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11,20H2,1H3
InChIKeyFZLXLEHSXBQMMS-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol (CID 56710901) is 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol is Cc1nc(CCN)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is FZLXLEHSXBQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-21-16(6-9-20)12-17(22-13)23-10-7-18(24,8-11-23)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11,20H2,1H3.
What are the key properties of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 346.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 56710901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).