1-[3-(4-iodopyrazol-1-yl)propyl]piperidine

C11H18IN3 — CID 156792777

IUPAC1-[3-(4-iodopyrazol-1-yl)propyl]piperidine
SMILESIc1cnn(CCCN2CCCCC2)c1
InChIInChI=1S/C11H18IN3/c12-11-9-13-15(10-11)8-4-7-14-5-2-1-3-6-14/h9-10H,1-8H2
InChIKeyPPNKSRRTCWIFNC-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine

1-[3-(4-iodopyrazol-1-yl)propyl]piperidine (PubChem CID 156792777) has the molecular formula C11H18IN3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-iodopyrazol-1-yl)propyl]piperidine
PubChem CID156792777
Molecular FormulaC11H18IN3
Molecular Weight319.19 g/mol
Exact Mass319.05
IUPAC Name1-[3-(4-iodopyrazol-1-yl)propyl]piperidine
SMILESIc1cnn(CCCN2CCCCC2)c1
InChIInChI=1S/C11H18IN3/c12-11-9-13-15(10-11)8-4-7-14-5-2-1-3-6-14/h9-10H,1-8H2
InChIKeyPPNKSRRTCWIFNC-UHFFFAOYSA-N
XLogP2.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine?
The IUPAC name of 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine (CID 156792777) is 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine?
The canonical SMILES for 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine is Ic1cnn(CCCN2CCCCC2)c1.
What is the InChIKey of 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine?
The InChIKey is PPNKSRRTCWIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3/c12-11-9-13-15(10-11)8-4-7-14-5-2-1-3-6-14/h9-10H,1-8H2.
What are the key properties of 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine?
1-[3-(4-iodopyrazol-1-yl)propyl]piperidine has a molecular weight of 319.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-iodopyrazol-1-yl)propyl]piperidine is sourced from PubChem (CID 156792777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).