4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine

C17H34N2O — CID 100637336

IUPAC4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine
SMILESCC(C)(C)CCCN1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C17H34N2O/c1-17(2,3)8-6-10-19-9-5-4-7-16(19)15-18-11-13-20-14-12-18/h16H,4-15H2,1-3H3/t16-/m1/s1
InChIKeyDFBBERXTNDTUEW-MRXNPFEDSA-N
MW282.47 g/mol
LogP3.00
Rot. Bonds5

About 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine

4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine (PubChem CID 100637336) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine
PubChem CID100637336
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine
SMILESCC(C)(C)CCCN1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C17H34N2O/c1-17(2,3)8-6-10-19-9-5-4-7-16(19)15-18-11-13-20-14-12-18/h16H,4-15H2,1-3H3/t16-/m1/s1
InChIKeyDFBBERXTNDTUEW-MRXNPFEDSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine (CID 100637336) is 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine is CC(C)(C)CCCN1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine?
The InChIKey is DFBBERXTNDTUEW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34N2O/c1-17(2,3)8-6-10-19-9-5-4-7-16(19)15-18-11-13-20-14-12-18/h16H,4-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine?
4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine has a molecular weight of 282.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 100637336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).