1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine

C16H23IN2 — CID 65477853

IUPAC1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESIc1ccc(CN2CCCCC2C2CCCN2)cc1
InChIInChI=1S/C16H23IN2/c17-14-8-6-13(7-9-14)12-19-11-2-1-5-16(19)15-4-3-10-18-15/h6-9,15-16,18H,1-5,10-12H2
InChIKeyDOHLTVNHXVBLSR-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.40
Rot. Bonds3

About 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 65477853) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID65477853
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESIc1ccc(CN2CCCCC2C2CCCN2)cc1
InChIInChI=1S/C16H23IN2/c17-14-8-6-13(7-9-14)12-19-11-2-1-5-16(19)15-4-3-10-18-15/h6-9,15-16,18H,1-5,10-12H2
InChIKeyDOHLTVNHXVBLSR-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 65477853) is 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine is Ic1ccc(CN2CCCCC2C2CCCN2)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is DOHLTVNHXVBLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c17-14-8-6-13(7-9-14)12-19-11-2-1-5-16(19)15-4-3-10-18-15/h6-9,15-16,18H,1-5,10-12H2.
What are the key properties of 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 370.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 65477853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).