(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone

C17H26N2O — CID 82248021

IUPAC(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(C(C)C)NCC2(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)15-10-19(17(4,5)11-18-15)16(20)14-8-6-13(3)7-9-14/h6-9,12,15,18H,10-11H2,1-5H3
InChIKeyBYCCAXFUGDHHDQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds2

About (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone

(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone (PubChem CID 82248021) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone
PubChem CID82248021
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(C(C)C)NCC2(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)15-10-19(17(4,5)11-18-15)16(20)14-8-6-13(3)7-9-14/h6-9,12,15,18H,10-11H2,1-5H3
InChIKeyBYCCAXFUGDHHDQ-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 82251060
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one
CID 82243712
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115269399
(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82247181
(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone
CID 82246016
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127
(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82246999
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
CID 131000770
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-methylphenyl)methanone
CID 130315831
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone (CID 82248021) is (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(C(C)C)NCC2(C)C)cc1.
What is the InChIKey of (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is BYCCAXFUGDHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)15-10-19(17(4,5)11-18-15)16(20)14-8-6-13(3)7-9-14/h6-9,12,15,18H,10-11H2,1-5H3.
What are the key properties of (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone?
(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 82248021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).