4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde

C13H23F3N4O — CID 151450971

IUPAC4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde
SMILESCNC1(N2CCN(C)CC2)CCN(C=O)CC1C(F)(F)F
InChIInChI=1S/C13H23F3N4O/c1-17-12(20-7-5-18(2)6-8-20)3-4-19(10-21)9-11(12)13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyPGMFPALVIYUZAW-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.19
Rot. Bonds3

About 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde

4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde (PubChem CID 151450971) has the molecular formula C13H23F3N4O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde
PubChem CID151450971
Molecular FormulaC13H23F3N4O
Molecular Weight308.35 g/mol
Exact Mass308.18
IUPAC Name4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde
SMILESCNC1(N2CCN(C)CC2)CCN(C=O)CC1C(F)(F)F
InChIInChI=1S/C13H23F3N4O/c1-17-12(20-7-5-18(2)6-8-20)3-4-19(10-21)9-11(12)13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyPGMFPALVIYUZAW-UHFFFAOYSA-N
XLogP0.19
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468023
1-[(1-Methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113233560
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane
CID 154671520
5-(1-Tert-butyl-4,4-difluoropiperidin-3-yl)-1,3-diazinan-2-one
CID 176264648
1-(1,3-Dimethylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 49615173
Piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 54936615
1-[2-(4-Methylpiperidin-1-yl)ethyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 60477941
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(1-methylpiperidin-4-yl)urea
CID 60606594
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60606614
Piperazin-1-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65533844

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde (CID 151450971) is 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde is CNC1(N2CCN(C)CC2)CCN(C=O)CC1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde?
The InChIKey is PGMFPALVIYUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O/c1-17-12(20-7-5-18(2)6-8-20)3-4-19(10-21)9-11(12)13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde?
4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde has a molecular weight of 308.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 151450971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).