2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline

C14H21IN2 — CID 66079728

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline
SMILESCCC1(C)CCN(c2ccc(I)cc2N)CC1
InChIInChI=1S/C14H21IN2/c1-3-14(2)6-8-17(9-7-14)13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyQQPSCQXPEMUOGX-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline

2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline (PubChem CID 66079728) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline
PubChem CID66079728
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline
SMILESCCC1(C)CCN(c2ccc(I)cc2N)CC1
InChIInChI=1S/C14H21IN2/c1-3-14(2)6-8-17(9-7-14)13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyQQPSCQXPEMUOGX-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline (CID 66079728) is 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline is CCC1(C)CCN(c2ccc(I)cc2N)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline?
The InChIKey is QQPSCQXPEMUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-3-14(2)6-8-17(9-7-14)13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline?
2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline has a molecular weight of 344.24 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline is sourced from PubChem (CID 66079728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).