(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C16H24N2O2 — CID 56779839

IUPAC(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(CC(C)O)CC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-5-15(13(2)10-12)16(20)18-8-6-17(7-9-18)11-14(3)19/h4-5,10,14,19H,6-9,11H2,1-3H3
InChIKeyDNKYBDNGCDWHJU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.44
Rot. Bonds3

About (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779839) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779839
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(CC(C)O)CC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-5-15(13(2)10-12)16(20)18-8-6-17(7-9-18)11-14(3)19/h4-5,10,14,19H,6-9,11H2,1-3H3
InChIKeyDNKYBDNGCDWHJU-UHFFFAOYSA-N
XLogP1.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
ethyl 4-(2,4-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808960

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779839) is (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(CC(C)O)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is DNKYBDNGCDWHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-5-15(13(2)10-12)16(20)18-8-6-17(7-9-18)11-14(3)19/h4-5,10,14,19H,6-9,11H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).