2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine

C18H29NO — CID 11129539

IUPAC2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine
SMILESCCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-6-16(15-11-8-7-9-12-15)20-19-17(2,3)13-10-14-18(19,4)5/h7-9,11-12,16H,6,10,13-14H2,1-5H3
InChIKeyPULYSZMNMANRAG-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.11
Rot. Bonds4

About 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine

2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine (PubChem CID 11129539) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine
PubChem CID11129539
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine
SMILESCCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-6-16(15-11-8-7-9-12-15)20-19-17(2,3)13-10-14-18(19,4)5/h7-9,11-12,16H,6,10,13-14H2,1-5H3
InChIKeyPULYSZMNMANRAG-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine (CID 11129539) is 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine is CCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine?
The InChIKey is PULYSZMNMANRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-16(15-11-8-7-9-12-15)20-19-17(2,3)13-10-14-18(19,4)5/h7-9,11-12,16H,6,10,13-14H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine?
2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine has a molecular weight of 275.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)piperidine is sourced from PubChem (CID 11129539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).