1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol

C20H27N3O2 — CID 72884550

IUPAC1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
SMILESCOc1ccccc1N1CCN(c2cccc(C(C)O)n2)CC1(C)C
InChIInChI=1S/C20H27N3O2/c1-15(24)16-8-7-11-19(21-16)22-12-13-23(20(2,3)14-22)17-9-5-6-10-18(17)25-4/h5-11,15,24H,12-14H2,1-4H3
InChIKeyRNQWUIYGKWFXHF-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.25
Rot. Bonds4

About 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol

1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol (PubChem CID 72884550) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
PubChem CID72884550
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
SMILESCOc1ccccc1N1CCN(c2cccc(C(C)O)n2)CC1(C)C
InChIInChI=1S/C20H27N3O2/c1-15(24)16-8-7-11-19(21-16)22-12-13-23(20(2,3)14-22)17-9-5-6-10-18(17)25-4/h5-11,15,24H,12-14H2,1-4H3
InChIKeyRNQWUIYGKWFXHF-UHFFFAOYSA-N
XLogP3.25
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 72841234
2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 70740105
1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol
CID 167941925
3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
CID 146140358
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70709938
4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 95563400
(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 97452088
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
CID 70395500
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 138052956
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol (CID 72884550) is 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol is COc1ccccc1N1CCN(c2cccc(C(C)O)n2)CC1(C)C.
What is the InChIKey of 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol?
The InChIKey is RNQWUIYGKWFXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(24)16-8-7-11-19(21-16)22-12-13-23(20(2,3)14-22)17-9-5-6-10-18(17)25-4/h5-11,15,24H,12-14H2,1-4H3.
What are the key properties of 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol?
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol has a molecular weight of 341.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 72884550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).