1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine

C16H29IN2 — CID 176986618

IUPAC1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine
SMILESCC(C)C1CCC2(CC1)CC(N1CCN(I)CC1)C2
InChIInChI=1S/C16H29IN2/c1-13(2)14-3-5-16(6-4-14)11-15(12-16)18-7-9-19(17)10-8-18/h13-15H,3-12H2,1-2H3
InChIKeyTWNWZKYJYYBDNJ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.95
Rot. Bonds2

About 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine

1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine (PubChem CID 176986618) has the molecular formula C16H29IN2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine.

Molecular Properties

Compound Name1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine
PubChem CID176986618
Molecular FormulaC16H29IN2
Molecular Weight376.33 g/mol
Exact Mass376.14
IUPAC Name1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine
SMILESCC(C)C1CCC2(CC1)CC(N1CCN(I)CC1)C2
InChIInChI=1S/C16H29IN2/c1-13(2)14-3-5-16(6-4-14)11-15(12-16)18-7-9-19(17)10-8-18/h13-15H,3-12H2,1-2H3
InChIKeyTWNWZKYJYYBDNJ-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine 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

7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
CID 176984800
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
7-propan-2-yl-2-(3-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 167091313
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane
CID 166559678
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
CID 169125674
6-cyclobutyl-2-propan-2-yl-6-azaspiro[3.4]octane
CID 170739996
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine?
The IUPAC name of 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine (CID 176986618) is 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine.
What is the SMILES notation for 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine?
The canonical SMILES for 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine is CC(C)C1CCC2(CC1)CC(N1CCN(I)CC1)C2.
What is the InChIKey of 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine?
The InChIKey is TWNWZKYJYYBDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29IN2/c1-13(2)14-3-5-16(6-4-14)11-15(12-16)18-7-9-19(17)10-8-18/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine?
1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine has a molecular weight of 376.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine is sourced from PubChem (CID 176986618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).