2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine

C15H23IN2 — CID 114283042

IUPAC2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(Cc2cccc(I)c2)CC1
InChIInChI=1S/C15H23IN2/c1-17-8-5-13-6-9-18(10-7-13)12-14-3-2-4-15(16)11-14/h2-4,11,13,17H,5-10,12H2,1H3
InChIKeyJDCQOCVTLREYAU-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine

2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 114283042) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine
PubChem CID114283042
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(Cc2cccc(I)c2)CC1
InChIInChI=1S/C15H23IN2/c1-17-8-5-13-6-9-18(10-7-13)12-14-3-2-4-15(16)11-14/h2-4,11,13,17H,5-10,12H2,1H3
InChIKeyJDCQOCVTLREYAU-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.11
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-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843504
2-[1-[(4-bromo-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 115558520
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060
2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104869888
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
2-(2,6-dioxopiperidin-3-yl)-5-[[4-[2-(methylamino)ethyl]piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167714756
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
2-[1-[(2-fluoro-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 107350281
N-methyl-1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922248
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
CID 83980952

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine (CID 114283042) is 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(Cc2cccc(I)c2)CC1.
What is the InChIKey of 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is JDCQOCVTLREYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-17-8-5-13-6-9-18(10-7-13)12-14-3-2-4-15(16)11-14/h2-4,11,13,17H,5-10,12H2,1H3.
What are the key properties of 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine?
2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 358.27 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 114283042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).