1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine

C16H23IN2 — CID 65476831

IUPAC1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESIc1ccc(CN2CCCC(C3CCCN3)C2)cc1
InChIInChI=1S/C16H23IN2/c17-15-7-5-13(6-8-15)11-19-10-2-3-14(12-19)16-4-1-9-18-16/h5-8,14,16,18H,1-4,9-12H2
InChIKeyNNJQXIDEVGTPRZ-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.26
Rot. Bonds3

About 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine

1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 65476831) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID65476831
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESIc1ccc(CN2CCCC(C3CCCN3)C2)cc1
InChIInChI=1S/C16H23IN2/c17-15-7-5-13(6-8-15)11-19-10-2-3-14(12-19)16-4-1-9-18-16/h5-8,14,16,18H,1-4,9-12H2
InChIKeyNNJQXIDEVGTPRZ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-iodophenyl)methyl]-3-methyl-1,4-diazepane
CID 65491766
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)benzoic acid
CID 102682300
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 62085592
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 66156264
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330
[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane
CID 103438232
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 60977609
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine (CID 65476831) is 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine is Ic1ccc(CN2CCCC(C3CCCN3)C2)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is NNJQXIDEVGTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c17-15-7-5-13(6-8-15)11-19-10-2-3-14(12-19)16-4-1-9-18-16/h5-8,14,16,18H,1-4,9-12H2.
What are the key properties of 1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 370.28 g/mol, XLogP of 3.26, 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]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 65476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).