1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine

C14H18ClIN2 — CID 107639795

IUPAC1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine
SMILESClc1ccc(N2CCCC(NC3CC3)C2)c(I)c1
InChIInChI=1S/C14H18ClIN2/c15-10-3-6-14(13(16)8-10)18-7-1-2-12(9-18)17-11-4-5-11/h3,6,8,11-12,17H,1-2,4-5,7,9H2
InChIKeyGZYQKCXVHLCFMK-UHFFFAOYSA-N
MW376.67 g/mol
LogP3.67
Rot. Bonds3

About 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine

1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine (PubChem CID 107639795) has the molecular formula C14H18ClIN2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine
PubChem CID107639795
Molecular FormulaC14H18ClIN2
Molecular Weight376.67 g/mol
Exact Mass376.02
IUPAC Name1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine
SMILESClc1ccc(N2CCCC(NC3CC3)C2)c(I)c1
InChIInChI=1S/C14H18ClIN2/c15-10-3-6-14(13(16)8-10)18-7-1-2-12(9-18)17-11-4-5-11/h3,6,8,11-12,17H,1-2,4-5,7,9H2
InChIKeyGZYQKCXVHLCFMK-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 53.67
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

1-(4-chloro-2-iodophenyl)azepane
CID 107641046
1-(4-chloro-2-iodophenyl)-3-cyclohexyl-1,4-diazepane
CID 107639977
1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 81271882
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
2-[[1-(4-chloro-2-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004800
N-cyclohexyl-1-(2,3-difluorophenyl)piperidin-3-amine
CID 83999334
1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine
CID 107641033
2-(4-chloro-2-iodophenyl)-2-azaspiro[3.4]octane
CID 107641023
1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine
CID 114261367
N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-1H-indazol-6-amine
CID 143370604
5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane
CID 107641028
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine (CID 107639795) is 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine is Clc1ccc(N2CCCC(NC3CC3)C2)c(I)c1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine?
The InChIKey is GZYQKCXVHLCFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2/c15-10-3-6-14(13(16)8-10)18-7-1-2-12(9-18)17-11-4-5-11/h3,6,8,11-12,17H,1-2,4-5,7,9H2.
What are the key properties of 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine?
1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine has a molecular weight of 376.67 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine is sourced from PubChem (CID 107639795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).