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

C15H22FIN2 — CID 79768481

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
SMILESCCN1CCC(C(C)Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C15H22FIN2/c1-3-19-8-6-12(7-9-19)11(2)18-15-5-4-13(16)10-14(15)17/h4-5,10-12,18H,3,6-9H2,1-2H3
InChIKeyKYITXXUCEFLSDP-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.96
Rot. Bonds4

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

N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline (PubChem CID 79768481) has the molecular formula C15H22FIN2 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
PubChem CID79768481
Molecular FormulaC15H22FIN2
Molecular Weight376.26 g/mol
Exact Mass376.08
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
SMILESCCN1CCC(C(C)Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C15H22FIN2/c1-3-19-8-6-12(7-9-19)11(2)18-15-5-4-13(16)10-14(15)17/h4-5,10-12,18H,3,6-9H2,1-2H3
InChIKeyKYITXXUCEFLSDP-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.96
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

N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
CID 107632479
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline
CID 79769128
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline (CID 79768481) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline is CCN1CCC(C(C)Nc2ccc(F)cc2I)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline?
The InChIKey is KYITXXUCEFLSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FIN2/c1-3-19-8-6-12(7-9-19)11(2)18-15-5-4-13(16)10-14(15)17/h4-5,10-12,18H,3,6-9H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline has a molecular weight of 376.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79768481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).