2-[cyclohexyl(2-methylbutoxy)methyl]piperidine

C17H33NO — CID 130239872

IUPAC2-[cyclohexyl(2-methylbutoxy)methyl]piperidine
SMILESCCC(C)COC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C17H33NO/c1-3-14(2)13-19-17(15-9-5-4-6-10-15)16-11-7-8-12-18-16/h14-18H,3-13H2,1-2H3
InChIKeyGNPCVYKKFIFRNH-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine

2-[cyclohexyl(2-methylbutoxy)methyl]piperidine (PubChem CID 130239872) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine.

Molecular Properties

Compound Name2-[cyclohexyl(2-methylbutoxy)methyl]piperidine
PubChem CID130239872
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[cyclohexyl(2-methylbutoxy)methyl]piperidine
SMILESCCC(C)COC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C17H33NO/c1-3-14(2)13-19-17(15-9-5-4-6-10-15)16-11-7-8-12-18-16/h14-18H,3-13H2,1-2H3
InChIKeyGNPCVYKKFIFRNH-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine?
The IUPAC name of 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine (CID 130239872) is 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine.
What is the SMILES notation for 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine?
The canonical SMILES for 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine is CCC(C)COC(C1CCCCC1)C1CCCCN1.
What is the InChIKey of 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine?
The InChIKey is GNPCVYKKFIFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-14(2)13-19-17(15-9-5-4-6-10-15)16-11-7-8-12-18-16/h14-18H,3-13H2,1-2H3.
What are the key properties of 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine?
2-[cyclohexyl(2-methylbutoxy)methyl]piperidine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-methylbutoxy)methyl]piperidine is sourced from PubChem (CID 130239872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).