1-benzyl-4-(iodomethyl)piperidin-3-ol

C13H18INO — CID 71649873

IUPAC1-benzyl-4-(iodomethyl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1CI
InChIInChI=1S/C13H18INO/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2
InChIKeyNMFPIQSNXSTFBH-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.30
Rot. Bonds3

About 1-benzyl-4-(iodomethyl)piperidin-3-ol

1-benzyl-4-(iodomethyl)piperidin-3-ol (PubChem CID 71649873) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-benzyl-4-(iodomethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-(iodomethyl)piperidin-3-ol
PubChem CID71649873
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name1-benzyl-4-(iodomethyl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1CI
InChIInChI=1S/C13H18INO/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2
InChIKeyNMFPIQSNXSTFBH-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
1-benzyl-3-(iodomethyl)piperidine-4-thiol
CID 130863108
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
CID 58171508
CID 58171508
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(iodomethyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-4-(iodomethyl)piperidin-3-ol (CID 71649873) is 1-benzyl-4-(iodomethyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-(iodomethyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-4-(iodomethyl)piperidin-3-ol is OC1CN(Cc2ccccc2)CCC1CI.
What is the InChIKey of 1-benzyl-4-(iodomethyl)piperidin-3-ol?
The InChIKey is NMFPIQSNXSTFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2.
What are the key properties of 1-benzyl-4-(iodomethyl)piperidin-3-ol?
1-benzyl-4-(iodomethyl)piperidin-3-ol has a molecular weight of 331.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(iodomethyl)piperidin-3-ol is sourced from PubChem (CID 71649873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).