(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone

C12H16N2O — CID 175795423

IUPAC(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone
SMILES[2H]N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C12H16N2O/c1-10-4-2-3-5-11(10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3/i/hD
InChIKeyUWLVXFDJDRTPDH-DYCDLGHISA-N
MW205.28 g/mol
LogP1.04
Rot. Bonds1

About (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone

(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone (PubChem CID 175795423) has the molecular formula C12H16N2O and a molecular weight of 205.28 g/mol. Its IUPAC name is (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone
PubChem CID175795423
Molecular FormulaC12H16N2O
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone
SMILES[2H]N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C12H16N2O/c1-10-4-2-3-5-11(10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3/i/hD
InChIKeyUWLVXFDJDRTPDH-DYCDLGHISA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
(3-methyl-1,4-diazepan-1-yl)-(2-methylphenyl)methanone
CID 82242995
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425

Frequently Asked Questions

What is the IUPAC name of (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone (CID 175795423) is (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone is [2H]N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is UWLVXFDJDRTPDH-DYCDLGHISA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-4-2-3-5-11(10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3/i/hD.
What are the key properties of (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone?
(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 205.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 175795423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).