1-(1-iodopiperidin-4-yl)-4-propylpiperazine

C12H24IN3 — CID 170084065

IUPAC1-(1-iodopiperidin-4-yl)-4-propylpiperazine
SMILESCCCN1CCN(C2CCN(I)CC2)CC1
InChIInChI=1S/C12H24IN3/c1-2-5-14-8-10-15(11-9-14)12-3-6-16(13)7-4-12/h12H,2-11H2,1H3
InChIKeyDQQWPICCCJCSJJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP1.83
Rot. Bonds3

About 1-(1-iodopiperidin-4-yl)-4-propylpiperazine

1-(1-iodopiperidin-4-yl)-4-propylpiperazine (PubChem CID 170084065) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(1-iodopiperidin-4-yl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(1-iodopiperidin-4-yl)-4-propylpiperazine
PubChem CID170084065
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name1-(1-iodopiperidin-4-yl)-4-propylpiperazine
SMILESCCCN1CCN(C2CCN(I)CC2)CC1
InChIInChI=1S/C12H24IN3/c1-2-5-14-8-10-15(11-9-14)12-3-6-16(13)7-4-12/h12H,2-11H2,1H3
InChIKeyDQQWPICCCJCSJJ-UHFFFAOYSA-N
XLogP1.83
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-iodopiperidin-4-yl)-4-propylpiperazine 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-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
CID 130391537
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
1-(oxolan-3-yl)-4-propylpiperazine
CID 178050247
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
CID 166946144
1-(4-ethylcyclohexyl)-4-iodopiperazine
CID 166536965
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 166118536
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopiperidin-4-yl)-4-propylpiperazine?
The IUPAC name of 1-(1-iodopiperidin-4-yl)-4-propylpiperazine (CID 170084065) is 1-(1-iodopiperidin-4-yl)-4-propylpiperazine.
What is the SMILES notation for 1-(1-iodopiperidin-4-yl)-4-propylpiperazine?
The canonical SMILES for 1-(1-iodopiperidin-4-yl)-4-propylpiperazine is CCCN1CCN(C2CCN(I)CC2)CC1.
What is the InChIKey of 1-(1-iodopiperidin-4-yl)-4-propylpiperazine?
The InChIKey is DQQWPICCCJCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IN3/c1-2-5-14-8-10-15(11-9-14)12-3-6-16(13)7-4-12/h12H,2-11H2,1H3.
What are the key properties of 1-(1-iodopiperidin-4-yl)-4-propylpiperazine?
1-(1-iodopiperidin-4-yl)-4-propylpiperazine has a molecular weight of 337.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopiperidin-4-yl)-4-propylpiperazine is sourced from PubChem (CID 170084065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).