3-(4-methyl-2-phenylpiperazin-1-yl)propanal

C14H20N2O — CID 63039379

IUPAC3-(4-methyl-2-phenylpiperazin-1-yl)propanal
SMILESCN1CCN(CCC=O)C(c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15-9-10-16(8-5-11-17)14(12-15)13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3
InChIKeyQCCYREIRDCTDHD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.56
Rot. Bonds4

About 3-(4-methyl-2-phenylpiperazin-1-yl)propanal

3-(4-methyl-2-phenylpiperazin-1-yl)propanal (PubChem CID 63039379) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(4-methyl-2-phenylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name3-(4-methyl-2-phenylpiperazin-1-yl)propanal
PubChem CID63039379
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(4-methyl-2-phenylpiperazin-1-yl)propanal
SMILESCN1CCN(CCC=O)C(c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15-9-10-16(8-5-11-17)14(12-15)13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3
InChIKeyQCCYREIRDCTDHD-UHFFFAOYSA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
(3aR,7aR)-2-[[(2R)-4-methyl-2-phenylpiperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124831906
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-phenylpiperazin-1-yl)propanal?
The IUPAC name of 3-(4-methyl-2-phenylpiperazin-1-yl)propanal (CID 63039379) is 3-(4-methyl-2-phenylpiperazin-1-yl)propanal.
What is the SMILES notation for 3-(4-methyl-2-phenylpiperazin-1-yl)propanal?
The canonical SMILES for 3-(4-methyl-2-phenylpiperazin-1-yl)propanal is CN1CCN(CCC=O)C(c2ccccc2)C1.
What is the InChIKey of 3-(4-methyl-2-phenylpiperazin-1-yl)propanal?
The InChIKey is QCCYREIRDCTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-9-10-16(8-5-11-17)14(12-15)13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3.
What are the key properties of 3-(4-methyl-2-phenylpiperazin-1-yl)propanal?
3-(4-methyl-2-phenylpiperazin-1-yl)propanal has a molecular weight of 232.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-phenylpiperazin-1-yl)propanal is sourced from PubChem (CID 63039379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).