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

C16H31NO — CID 126664190

IUPAC2-[cyclohexyl(2-methylpropoxy)methyl]piperidine
SMILESCC(C)COC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C16H31NO/c1-13(2)12-18-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h13-17H,3-12H2,1-2H3
InChIKeyJPGURZVFZZSEAY-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

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

2-[cyclohexyl(2-methylpropoxy)methyl]piperidine (PubChem CID 126664190) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine.

Molecular Properties

Compound Name2-[cyclohexyl(2-methylpropoxy)methyl]piperidine
PubChem CID126664190
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[cyclohexyl(2-methylpropoxy)methyl]piperidine
SMILESCC(C)COC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C16H31NO/c1-13(2)12-18-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h13-17H,3-12H2,1-2H3
InChIKeyJPGURZVFZZSEAY-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine?
The IUPAC name of 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine (CID 126664190) is 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine.
What is the SMILES notation for 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine?
The canonical SMILES for 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine is CC(C)COC(C1CCCCC1)C1CCCCN1.
What is the InChIKey of 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine?
The InChIKey is JPGURZVFZZSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)12-18-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine?
2-[cyclohexyl(2-methylpropoxy)methyl]piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-methylpropoxy)methyl]piperidine is sourced from PubChem (CID 126664190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).