4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C14H21IN2 — CID 43308680

IUPAC4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(I)cc1)C1CCCN(C)C1
InChIInChI=1S/C14H21IN2/c1-11(12-4-3-9-17(2)10-12)16-14-7-5-13(15)6-8-14/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyYTDFJOUOINWHBI-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.43
Rot. Bonds3

About 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 43308680) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID43308680
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(I)cc1)C1CCCN(C)C1
InChIInChI=1S/C14H21IN2/c1-11(12-4-3-9-17(2)10-12)16-14-7-5-13(15)6-8-14/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyYTDFJOUOINWHBI-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.43
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

4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43734119
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942327
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
CID 43705145
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 43308680) is 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CC(Nc1ccc(I)cc1)C1CCCN(C)C1.
What is the InChIKey of 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is YTDFJOUOINWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-11(12-4-3-9-17(2)10-12)16-14-7-5-13(15)6-8-14/h5-8,11-12,16H,3-4,9-10H2,1-2H3.
What are the key properties of 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 344.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43308680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).