[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone

C17H24N2O2 — CID 71783046

IUPAC[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(CC(O)C3CC3)CC2)c1
InChIInChI=1S/C17H24N2O2/c1-13-3-2-4-15(11-13)17(21)19-9-7-18(8-10-19)12-16(20)14-5-6-14/h2-4,11,14,16,20H,5-10,12H2,1H3
InChIKeyVCHIWYGYNAFLMD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.52
Rot. Bonds4

About [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 71783046) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID71783046
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(CC(O)C3CC3)CC2)c1
InChIInChI=1S/C17H24N2O2/c1-13-3-2-4-15(11-13)17(21)19-9-7-18(8-10-19)12-16(20)14-5-6-14/h2-4,11,14,16,20H,5-10,12H2,1H3
InChIKeyVCHIWYGYNAFLMD-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

ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110354943
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110311064
3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 28705387
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 97038831
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073778
[4-[(2S)-2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92768950

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 71783046) is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(CC(O)C3CC3)CC2)c1.
What is the InChIKey of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is VCHIWYGYNAFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-3-2-4-15(11-13)17(21)19-9-7-18(8-10-19)12-16(20)14-5-6-14/h2-4,11,14,16,20H,5-10,12H2,1H3.
What are the key properties of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)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-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 71783046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).