[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone

C13H15ClINO — CID 63397891

IUPAC[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCC(CCl)CC1
InChIInChI=1S/C13H15ClINO/c14-9-10-4-6-16(7-5-10)13(17)11-2-1-3-12(15)8-11/h1-3,8,10H,4-7,9H2
InChIKeyPNPROVOIYOWNQG-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.38
Rot. Bonds2

About [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone

[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 63397891) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
PubChem CID63397891
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCC(CCl)CC1
InChIInChI=1S/C13H15ClINO/c14-9-10-4-6-16(7-5-10)13(17)11-2-1-3-12(15)8-11/h1-3,8,10H,4-7,9H2
InChIKeyPNPROVOIYOWNQG-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 62371120
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 95751596
[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
2-fluoro-6-[[1-(3-iodobenzoyl)piperidin-4-yl]methoxy]benzonitrile
CID 66924441
(4-amino-3-methylpiperidin-1-yl)-(3-iodophenyl)methanone
CID 79879651

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone (CID 63397891) is [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)N1CCC(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is PNPROVOIYOWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c14-9-10-4-6-16(7-5-10)13(17)11-2-1-3-12(15)8-11/h1-3,8,10H,4-7,9H2.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone?
[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 363.63 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 63397891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).