[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone

C17H24N2O2 — CID 111105254

IUPAC[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-11-15(13)17(21)19-9-7-18(8-10-19)12-16(20)14-5-3-2-4-6-14/h2-6,13,15-16,20H,7-12H2,1H3
InChIKeyBJIJGELOQDYJEQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.52
Rot. Bonds4

About [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone

[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 111105254) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID111105254
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-11-15(13)17(21)19-9-7-18(8-10-19)12-16(20)14-5-3-2-4-6-14/h2-6,13,15-16,20H,7-12H2,1H3
InChIKeyBJIJGELOQDYJEQ-UHFFFAOYSA-N
XLogP1.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880024
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95346651
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596642
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 56802145

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone (CID 111105254) is [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is BJIJGELOQDYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-11-15(13)17(21)19-9-7-18(8-10-19)12-16(20)14-5-3-2-4-6-14/h2-6,13,15-16,20H,7-12H2,1H3.
What are the key properties of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 111105254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).