2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone

C18H27N3O2 — CID 83977975

IUPAC2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESCC1CCN(C(=O)C(c2cccc(O)c2)N2CCNCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-14-5-9-21(10-6-14)18(23)17(20-11-7-19-8-12-20)15-3-2-4-16(22)13-15/h2-4,13-14,17,19,22H,5-12H2,1H3
InChIKeyAXLYADCBKMFXLI-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone

2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone (PubChem CID 83977975) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
PubChem CID83977975
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESCC1CCN(C(=O)C(c2cccc(O)c2)N2CCNCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-14-5-9-21(10-6-14)18(23)17(20-11-7-19-8-12-20)15-3-2-4-16(22)13-15/h2-4,13-14,17,19,22H,5-12H2,1H3
InChIKeyAXLYADCBKMFXLI-UHFFFAOYSA-N
XLogP1.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977979
1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980030
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
2-(3-hydroxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83977931
1-(azepan-1-yl)-2-(2-ethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 112539341
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83978153
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
CID 79984509
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 83979179

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone (CID 83977975) is 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone is CC1CCN(C(=O)C(c2cccc(O)c2)N2CCNCC2)CC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is AXLYADCBKMFXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-5-9-21(10-6-14)18(23)17(20-11-7-19-8-12-20)15-3-2-4-16(22)13-15/h2-4,13-14,17,19,22H,5-12H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 83977975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).