1-[(4-iodophenyl)methyl]-3-methoxypiperidine

C13H18INO — CID 103713929

IUPAC1-[(4-iodophenyl)methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2ccc(I)cc2)C1
InChIInChI=1S/C13H18INO/c1-16-13-3-2-8-15(10-13)9-11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyZNYHDGUDSVVVBH-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.90
Rot. Bonds3

About 1-[(4-iodophenyl)methyl]-3-methoxypiperidine

1-[(4-iodophenyl)methyl]-3-methoxypiperidine (PubChem CID 103713929) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3-methoxypiperidine
PubChem CID103713929
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name1-[(4-iodophenyl)methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2ccc(I)cc2)C1
InChIInChI=1S/C13H18INO/c1-16-13-3-2-8-15(10-13)9-11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyZNYHDGUDSVVVBH-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
CID 130727806

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3-methoxypiperidine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3-methoxypiperidine (CID 103713929) is 1-[(4-iodophenyl)methyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3-methoxypiperidine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3-methoxypiperidine is COC1CCCN(Cc2ccc(I)cc2)C1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3-methoxypiperidine?
The InChIKey is ZNYHDGUDSVVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-16-13-3-2-8-15(10-13)9-11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-3-methoxypiperidine?
1-[(4-iodophenyl)methyl]-3-methoxypiperidine has a molecular weight of 331.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-3-methoxypiperidine is sourced from PubChem (CID 103713929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).