[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate

C15H26INO2 — CID 134485571

IUPAC[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate
SMILESCC(I)C(=O)OC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C15H26INO2/c1-11(16)15(18)19-14(12-7-3-2-4-8-12)13-9-5-6-10-17-13/h11-14,17H,2-10H2,1H3
InChIKeyISCHAVPTZOZDMG-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.44
Rot. Bonds4

About [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate

[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate (PubChem CID 134485571) has the molecular formula C15H26INO2 and a molecular weight of 379.28 g/mol. Its IUPAC name is [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate.

Molecular Properties

Compound Name[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate
PubChem CID134485571
Molecular FormulaC15H26INO2
Molecular Weight379.28 g/mol
Exact Mass379.10
IUPAC Name[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate
SMILESCC(I)C(=O)OC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C15H26INO2/c1-11(16)15(18)19-14(12-7-3-2-4-8-12)13-9-5-6-10-17-13/h11-14,17H,2-10H2,1H3
InChIKeyISCHAVPTZOZDMG-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
CID 155732233
[[4-[6-[cyclohexyl(2-methylpropanoyloxy)methyl]piperidin-3-yl]phenyl]-piperidin-2-ylmethyl] 2-methylbutanoate
CID 135230487
(2R)-2-propan-2-ylazepane
CID 7048221
2-(azocan-2-yl)-1-cyclopropylpropan-1-one
CID 130491233
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 158607221
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate?
The IUPAC name of [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate (CID 134485571) is [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate.
What is the SMILES notation for [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate?
The canonical SMILES for [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate is CC(I)C(=O)OC(C1CCCCC1)C1CCCCN1.
What is the InChIKey of [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate?
The InChIKey is ISCHAVPTZOZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26INO2/c1-11(16)15(18)19-14(12-7-3-2-4-8-12)13-9-5-6-10-17-13/h11-14,17H,2-10H2,1H3.
What are the key properties of [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate?
[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate has a molecular weight of 379.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate is sourced from PubChem (CID 134485571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).