(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone

C12H14INO2 — CID 43390619

IUPAC(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCCC(O)C1
InChIInChI=1S/C12H14INO2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h3-6,11,15H,1-2,7-8H2
InChIKeyHWUZHSGCSJTUCR-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.89
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone

(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone (PubChem CID 43390619) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
PubChem CID43390619
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCCC(O)C1
InChIInChI=1S/C12H14INO2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h3-6,11,15H,1-2,7-8H2
InChIKeyHWUZHSGCSJTUCR-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.89
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

4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
[3-(chloromethyl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 55187608
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone (CID 43390619) is (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone?
The InChIKey is HWUZHSGCSJTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h3-6,11,15H,1-2,7-8H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone?
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone has a molecular weight of 331.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 43390619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).