5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline

C14H21IN2 — CID 103505066

IUPAC5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline
SMILESCC(C)C1CCN(c2ccc(I)cc2N)CC1
InChIInChI=1S/C14H21IN2/c1-10(2)11-5-7-17(8-6-11)14-4-3-12(15)9-13(14)16/h3-4,9-11H,5-8,16H2,1-2H3
InChIKeyCVRAZLNOGIUQFZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.75
Rot. Bonds2

About 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline

5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline (PubChem CID 103505066) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline
PubChem CID103505066
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline
SMILESCC(C)C1CCN(c2ccc(I)cc2N)CC1
InChIInChI=1S/C14H21IN2/c1-10(2)11-5-7-17(8-6-11)14-4-3-12(15)9-13(14)16/h3-4,9-11H,5-8,16H2,1-2H3
InChIKeyCVRAZLNOGIUQFZ-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline?
The IUPAC name of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline (CID 103505066) is 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline?
The canonical SMILES for 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline is CC(C)C1CCN(c2ccc(I)cc2N)CC1.
What is the InChIKey of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline?
The InChIKey is CVRAZLNOGIUQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-10(2)11-5-7-17(8-6-11)14-4-3-12(15)9-13(14)16/h3-4,9-11H,5-8,16H2,1-2H3.
What are the key properties of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline?
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline has a molecular weight of 344.24 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 103505066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).