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

C16H25IN2 — CID 43308678

IUPAC4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2ccc(I)cc2)C1
InChIInChI=1S/C16H25IN2/c1-3-10-19-11-4-5-14(12-19)13(2)18-16-8-6-15(17)7-9-16/h6-9,13-14,18H,3-5,10-12H2,1-2H3
InChIKeyUSZDYOGZFPALPS-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.21
Rot. Bonds5

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

4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (PubChem CID 43308678) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
PubChem CID43308678
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2ccc(I)cc2)C1
InChIInChI=1S/C16H25IN2/c1-3-10-19-11-4-5-14(12-19)13(2)18-16-8-6-15(17)7-9-16/h6-9,13-14,18H,3-5,10-12H2,1-2H3
InChIKeyUSZDYOGZFPALPS-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.21
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-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
CID 61237330
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
1-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43534727
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 107620998
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (CID 43308678) is 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is CCCN1CCCC(C(C)Nc2ccc(I)cc2)C1.
What is the InChIKey of 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The InChIKey is USZDYOGZFPALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-3-10-19-11-4-5-14(12-19)13(2)18-16-8-6-15(17)7-9-16/h6-9,13-14,18H,3-5,10-12H2,1-2H3.
What are the key properties of 4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline has a molecular weight of 372.29 g/mol, XLogP of 4.21, 5 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-propylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43308678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).