4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde

C16H19F3N2O — CID 143031990

IUPAC4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde
SMILESCN1CCNCC1c1cc(C2CC2)cc(C(F)(F)F)c1C=O
InChIInChI=1S/C16H19F3N2O/c1-21-5-4-20-8-15(21)12-6-11(10-2-3-10)7-14(13(12)9-22)16(17,18)19/h6-7,9-10,15,20H,2-5,8H2,1H3
InChIKeySBZCZTCKZMJNTN-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.97
Rot. Bonds3

About 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde

4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde (PubChem CID 143031990) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde
PubChem CID143031990
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde
SMILESCN1CCNCC1c1cc(C2CC2)cc(C(F)(F)F)c1C=O
InChIInChI=1S/C16H19F3N2O/c1-21-5-4-20-8-15(21)12-6-11(10-2-3-10)7-14(13(12)9-22)16(17,18)19/h6-7,9-10,15,20H,2-5,8H2,1H3
InChIKeySBZCZTCKZMJNTN-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-9-propyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11163458
(R)-9-isopropyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11175045
(R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11187156
(R)-9-cyclopropyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one
CID 11209786
(R)-9-(1-methylcyclopropyl)-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one
CID 11233293
(R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11302765
(R)-9-methyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 16115654
[3,5-Bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 18703556
9-ethyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 68486242
N-((1-isopropylpiperidin-4-yl)methyl)-2,4,6-trimethylbenzamide
CID 16895479
2,4-Dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
CID 17325523
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(trifluoromethyl)benzamide
CID 45886046

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde (CID 143031990) is 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde is CN1CCNCC1c1cc(C2CC2)cc(C(F)(F)F)c1C=O.
What is the InChIKey of 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde?
The InChIKey is SBZCZTCKZMJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-21-5-4-20-8-15(21)12-6-11(10-2-3-10)7-14(13(12)9-22)16(17,18)19/h6-7,9-10,15,20H,2-5,8H2,1H3.
What are the key properties of 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde?
4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde has a molecular weight of 312.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 143031990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).