4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine

C16H31NO — CID 23388597

IUPAC4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCC(C)(C)OCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)18-13-16(9-11-17-12-10-16)14-7-5-4-6-8-14/h14,17H,4-13H2,1-3H3
InChIKeyHBMZKLKOQHHULN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds3

About 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine

4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine (PubChem CID 23388597) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
PubChem CID23388597
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCC(C)(C)OCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)18-13-16(9-11-17-12-10-16)14-7-5-4-6-8-14/h14,17H,4-13H2,1-3H3
InChIKeyHBMZKLKOQHHULN-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The IUPAC name of 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine (CID 23388597) is 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The canonical SMILES for 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine is CC(C)(C)OCC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The InChIKey is HBMZKLKOQHHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)18-13-16(9-11-17-12-10-16)14-7-5-4-6-8-14/h14,17H,4-13H2,1-3H3.
What are the key properties of 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 23388597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).