[4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

C20H24N2O3 — CID 71863167

IUPAC[4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCc1ccccc1C(O)CN1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C20H24N2O3/c1-15-6-2-3-7-16(15)19(24)14-21-10-12-22(13-11-21)20(25)17-8-4-5-9-18(17)23/h2-9,19,23-24H,10-14H2,1H3
InChIKeyJYSJLOPOHZQKKP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.19
Rot. Bonds4

About [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 71863167) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID71863167
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCc1ccccc1C(O)CN1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C20H24N2O3/c1-15-6-2-3-7-16(15)19(24)14-21-10-12-22(13-11-21)20(25)17-8-4-5-9-18(17)23/h2-9,19,23-24H,10-14H2,1H3
InChIKeyJYSJLOPOHZQKKP-UHFFFAOYSA-N
XLogP2.19
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 62966550
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 80660248
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 71863167) is [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is Cc1ccccc1C(O)CN1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is JYSJLOPOHZQKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-6-2-3-7-16(15)19(24)14-21-10-12-22(13-11-21)20(25)17-8-4-5-9-18(17)23/h2-9,19,23-24H,10-14H2,1H3.
What are the key properties of [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxy-2-(2-methylphenyl)ethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 71863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).