2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

C16H22INO — CID 114339317

IUPAC2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1ccc(I)cc1
InChIInChI=1S/C16H22INO/c17-13-8-6-12(7-9-13)11-18-10-2-4-15(18)14-3-1-5-16(14)19/h6-9,14-16,19H,1-5,10-11H2
InChIKeyGJIUNBGWRPETME-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.42
Rot. Bonds3

About 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339317) has the molecular formula C16H22INO and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339317
Molecular FormulaC16H22INO
Molecular Weight371.26 g/mol
Exact Mass371.07
IUPAC Name2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1ccc(I)cc1
InChIInChI=1S/C16H22INO/c17-13-8-6-12(7-9-13)11-18-10-2-4-15(18)14-3-1-5-16(14)19/h6-9,14-16,19H,1-5,10-11H2
InChIKeyGJIUNBGWRPETME-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.42
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-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339176
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339333
trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484142
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
2-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339388
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463
2-fluoro-5-[[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480462

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339317) is 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1Cc1ccc(I)cc1.
What is the InChIKey of 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is GJIUNBGWRPETME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22INO/c17-13-8-6-12(7-9-13)11-18-10-2-4-15(18)14-3-1-5-16(14)19/h6-9,14-16,19H,1-5,10-11H2.
What are the key properties of 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 371.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).