4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane

C19H37F2N3O — CID 176558506

IUPAC4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane
SMILESCC(C)C.CC(C)CN1CCC(CN2CCN(C=O)CC2)C(F)(F)C1
InChIInChI=1S/C15H27F2N3O.C4H10/c1-13(2)9-20-4-3-14(15(16,17)11-20)10-18-5-7-19(12-21)8-6-18;1-4(2)3/h12-14H,3-11H2,1-2H3;4H,1-3H3
InChIKeyPZCQNNBLJDLVLN-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.04
Rot. Bonds5

About 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane

4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane (PubChem CID 176558506) has the molecular formula C19H37F2N3O and a molecular weight of 361.52 g/mol. Its IUPAC name is 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane.

Molecular Properties

Compound Name4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane
PubChem CID176558506
Molecular FormulaC19H37F2N3O
Molecular Weight361.52 g/mol
Exact Mass361.29
IUPAC Name4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane
SMILESCC(C)C.CC(C)CN1CCC(CN2CCN(C=O)CC2)C(F)(F)C1
InChIInChI=1S/C15H27F2N3O.C4H10/c1-13(2)9-20-4-3-14(15(16,17)11-20)10-18-5-7-19(12-21)8-6-18;1-4(2)3/h12-14H,3-11H2,1-2H3;4H,1-3H3
InChIKeyPZCQNNBLJDLVLN-UHFFFAOYSA-N
XLogP3.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane 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

1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983752
4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]piperidine-1-carbaldehyde
CID 175527946
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde;ethane
CID 176558302
2-Methyl-1-[4-[[4-(2-methylpropyl)-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 177301848
1-[4-Fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302310
2-Methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 177355708
(4-Methylpiperidin-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 116655779
1-(2,2-Difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115350
1-(Cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983753
4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 176558507
N,N-dimethylformamide;ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperidine
CID 142390567
4-[(1-Methylpiperidin-4-yl)methyl]piperazine-1-carbaldehyde
CID 145633216

Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane?
The IUPAC name of 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane (CID 176558506) is 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane.
What is the SMILES notation for 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane?
The canonical SMILES for 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane is CC(C)C.CC(C)CN1CCC(CN2CCN(C=O)CC2)C(F)(F)C1.
What is the InChIKey of 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane?
The InChIKey is PZCQNNBLJDLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O.C4H10/c1-13(2)9-20-4-3-14(15(16,17)11-20)10-18-5-7-19(12-21)8-6-18;1-4(2)3/h12-14H,3-11H2,1-2H3;4H,1-3H3.
What are the key properties of 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane?
4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane has a molecular weight of 361.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane is sourced from PubChem (CID 176558506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).