1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol

C18H23ClN4O — CID 111476797

IUPAC1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1cc(N2CCN(CC(O)c3cccc(Cl)c3)CC2)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-13-10-18(21-14(2)20-13)23-8-6-22(7-9-23)12-17(24)15-4-3-5-16(19)11-15/h3-5,10-11,17,24H,6-9,12H2,1-2H3
InChIKeyBYEPZAWPGBJVGH-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol

1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 111476797) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID111476797
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1cc(N2CCN(CC(O)c3cccc(Cl)c3)CC2)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-13-10-18(21-14(2)20-13)23-8-6-22(7-9-23)12-17(24)15-4-3-5-16(19)11-15/h3-5,10-11,17,24H,6-9,12H2,1-2H3
InChIKeyBYEPZAWPGBJVGH-UHFFFAOYSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 51872238
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 46981923
1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
CID 5183030
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-(3-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 3703286
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 111476797) is 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1cc(N2CCN(CC(O)c3cccc(Cl)c3)CC2)nc(C)n1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is BYEPZAWPGBJVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-10-18(21-14(2)20-13)23-8-6-22(7-9-23)12-17(24)15-4-3-5-16(19)11-15/h3-5,10-11,17,24H,6-9,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol?
1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 346.86 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111476797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).