1-iodo-3-(2-phenylethyl)piperidine

C13H18IN — CID 57245811

IUPAC1-iodo-3-(2-phenylethyl)piperidine
SMILESIN1CCCC(CCc2ccccc2)C1
InChIInChI=1S/C13H18IN/c14-15-10-4-7-13(11-15)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyGGSFHWVHNOJROD-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.68
Rot. Bonds3

About 1-iodo-3-(2-phenylethyl)piperidine

1-iodo-3-(2-phenylethyl)piperidine (PubChem CID 57245811) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-iodo-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-iodo-3-(2-phenylethyl)piperidine
PubChem CID57245811
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name1-iodo-3-(2-phenylethyl)piperidine
SMILESIN1CCCC(CCc2ccccc2)C1
InChIInChI=1S/C13H18IN/c14-15-10-4-7-13(11-15)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyGGSFHWVHNOJROD-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
2-phenylethylcyclooctane
CID 54073487
4-(2-phenylethyl)-1-sulfanylazepane
CID 123467007
(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine
CID 89099207
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459961
methyl 5-oxo-5-[(3S)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459965
1,4-bis(2-phenylethyl)piperidine
CID 86059939
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
CID 142125213
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(2-phenylethyl)piperidine?
The IUPAC name of 1-iodo-3-(2-phenylethyl)piperidine (CID 57245811) is 1-iodo-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 1-iodo-3-(2-phenylethyl)piperidine?
The canonical SMILES for 1-iodo-3-(2-phenylethyl)piperidine is IN1CCCC(CCc2ccccc2)C1.
What is the InChIKey of 1-iodo-3-(2-phenylethyl)piperidine?
The InChIKey is GGSFHWVHNOJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c14-15-10-4-7-13(11-15)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 1-iodo-3-(2-phenylethyl)piperidine?
1-iodo-3-(2-phenylethyl)piperidine has a molecular weight of 315.20 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 57245811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).