1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol

C17H26INO — CID 79064990

IUPAC1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccc(I)cc1)N1CCCCC1
InChIInChI=1S/C17H26INO/c1-3-17(2,19-11-5-4-6-12-19)16(20)13-14-7-9-15(18)10-8-14/h7-10,16,20H,3-6,11-13H2,1-2H3
InChIKeyVLVIZPOPJMNAFK-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.85
Rot. Bonds5

About 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol

1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol (PubChem CID 79064990) has the molecular formula C17H26INO and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
PubChem CID79064990
Molecular FormulaC17H26INO
Molecular Weight387.31 g/mol
Exact Mass387.11
IUPAC Name1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccc(I)cc1)N1CCCCC1
InChIInChI=1S/C17H26INO/c1-3-17(2,19-11-5-4-6-12-19)16(20)13-14-7-9-15(18)10-8-14/h7-10,16,20H,3-6,11-13H2,1-2H3
InChIKeyVLVIZPOPJMNAFK-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.85
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

1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060083
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069489
1-(4-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069633
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308
1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 79060487
3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
CID 79052754

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The IUPAC name of 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol (CID 79064990) is 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol is CCC(C)(C(O)Cc1ccc(I)cc1)N1CCCCC1.
What is the InChIKey of 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The InChIKey is VLVIZPOPJMNAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26INO/c1-3-17(2,19-11-5-4-6-12-19)16(20)13-14-7-9-15(18)10-8-14/h7-10,16,20H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol has a molecular weight of 387.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 79064990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).