4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline

C15H22ClIN2 — CID 107632479

IUPAC4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
SMILESCCN1CCCC(C(C)Nc2ccc(Cl)cc2I)C1
InChIInChI=1S/C15H22ClIN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-7-6-13(16)9-14(15)17/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyRJUQFBWTFWPLSR-UHFFFAOYSA-N
MW392.71 g/mol
LogP4.48
Rot. Bonds4

About 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline

4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline (PubChem CID 107632479) has the molecular formula C15H22ClIN2 and a molecular weight of 392.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
PubChem CID107632479
Molecular FormulaC15H22ClIN2
Molecular Weight392.71 g/mol
Exact Mass392.05
IUPAC Name4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
SMILESCCN1CCCC(C(C)Nc2ccc(Cl)cc2I)C1
InChIInChI=1S/C15H22ClIN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-7-6-13(16)9-14(15)17/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyRJUQFBWTFWPLSR-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 81263958
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
CID 43716961
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
CID 102853203
N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
CID 79768481
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline?
The IUPAC name of 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline (CID 107632479) is 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline?
The canonical SMILES for 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline is CCN1CCCC(C(C)Nc2ccc(Cl)cc2I)C1.
What is the InChIKey of 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline?
The InChIKey is RJUQFBWTFWPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClIN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-7-6-13(16)9-14(15)17/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline?
4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline has a molecular weight of 392.71 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline is sourced from PubChem (CID 107632479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).