1-[(4-iodophenyl)methyl]-2-methylpiperidine

C13H18IN — CID 65477935

IUPAC1-[(4-iodophenyl)methyl]-2-methylpiperidine
SMILESCC1CCCCN1Cc1ccc(I)cc1
InChIInChI=1S/C13H18IN/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyOPTRIRWMBIGCSB-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.67
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-2-methylpiperidine

1-[(4-iodophenyl)methyl]-2-methylpiperidine (PubChem CID 65477935) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-2-methylpiperidine
PubChem CID65477935
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name1-[(4-iodophenyl)methyl]-2-methylpiperidine
SMILESCC1CCCCN1Cc1ccc(I)cc1
InChIInChI=1S/C13H18IN/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyOPTRIRWMBIGCSB-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135679
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
CID 65476989
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
[2-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970904
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347840

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-2-methylpiperidine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-2-methylpiperidine (CID 65477935) is 1-[(4-iodophenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-2-methylpiperidine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-2-methylpiperidine is CC1CCCCN1Cc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-2-methylpiperidine?
The InChIKey is OPTRIRWMBIGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-2-methylpiperidine?
1-[(4-iodophenyl)methyl]-2-methylpiperidine has a molecular weight of 315.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 65477935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).