4-methyl-3-phenylpiperazine-1-carbaldehyde

C12H16N2O — CID 175202957

IUPAC4-methyl-3-phenylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-13-7-8-14(10-15)9-12(13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyYGKABEGARBYOQQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.13
Rot. Bonds2

About 4-methyl-3-phenylpiperazine-1-carbaldehyde

4-methyl-3-phenylpiperazine-1-carbaldehyde (PubChem CID 175202957) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methyl-3-phenylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-3-phenylpiperazine-1-carbaldehyde
PubChem CID175202957
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-methyl-3-phenylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-13-7-8-14(10-15)9-12(13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyYGKABEGARBYOQQ-UHFFFAOYSA-N
XLogP1.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
1-methyl-2-phenylazetidine
CID 576373
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
2-phenylazetidine-1-carbaldehyde
CID 172843566

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylpiperazine-1-carbaldehyde?
The IUPAC name of 4-methyl-3-phenylpiperazine-1-carbaldehyde (CID 175202957) is 4-methyl-3-phenylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-methyl-3-phenylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-methyl-3-phenylpiperazine-1-carbaldehyde is CN1CCN(C=O)CC1c1ccccc1.
What is the InChIKey of 4-methyl-3-phenylpiperazine-1-carbaldehyde?
The InChIKey is YGKABEGARBYOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-7-8-14(10-15)9-12(13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 4-methyl-3-phenylpiperazine-1-carbaldehyde?
4-methyl-3-phenylpiperazine-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylpiperazine-1-carbaldehyde is sourced from PubChem (CID 175202957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).