1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine

C19H37IN4 — CID 155184392

IUPAC1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine
SMILESCC(C)N1CCC(CN2CCC(CN3CCN(I)CC3)CC2)CC1
InChIInChI=1S/C19H37IN4/c1-17(2)23-9-5-19(6-10-23)15-21-7-3-18(4-8-21)16-22-11-13-24(20)14-12-22/h17-19H,3-16H2,1-2H3
InChIKeyMPNPCIFGCVYGLJ-UHFFFAOYSA-N
MW448.44 g/mol
LogP2.79
Rot. Bonds5

About 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine

1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine (PubChem CID 155184392) has the molecular formula C19H37IN4 and a molecular weight of 448.44 g/mol. Its IUPAC name is 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine
PubChem CID155184392
Molecular FormulaC19H37IN4
Molecular Weight448.44 g/mol
Exact Mass448.21
IUPAC Name1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine
SMILESCC(C)N1CCC(CN2CCC(CN3CCN(I)CC3)CC2)CC1
InChIInChI=1S/C19H37IN4/c1-17(2)23-9-5-19(6-10-23)15-21-7-3-18(4-8-21)16-22-11-13-24(20)14-12-22/h17-19H,3-16H2,1-2H3
InChIKeyMPNPCIFGCVYGLJ-UHFFFAOYSA-N
XLogP2.79
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine (CID 155184392) is 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine is CC(C)N1CCC(CN2CCC(CN3CCN(I)CC3)CC2)CC1.
What is the InChIKey of 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
The InChIKey is MPNPCIFGCVYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37IN4/c1-17(2)23-9-5-19(6-10-23)15-21-7-3-18(4-8-21)16-22-11-13-24(20)14-12-22/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine?
1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine has a molecular weight of 448.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 155184392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).