2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine

C37H67NO — CID 174431842

IUPAC2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine
SMILESCCCCCCCCCCCCCCCCCCC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C37H67NO/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-34-31-36(5,6)38(37(8-2,9-3)32-34)39-33(4)35-29-26-24-27-30-35/h24,26-27,29-30,33-34H,7-23,25,28,31-32H2,1-6H3
InChIKeyZAUJHXRXUCWWSA-UHFFFAOYSA-N
MW541.95 g/mol
LogP12.38
Rot. Bonds22

About 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine

2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine (PubChem CID 174431842) has the molecular formula C37H67NO and a molecular weight of 541.95 g/mol. Its IUPAC name is 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine.

Molecular Properties

Compound Name2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine
PubChem CID174431842
Molecular FormulaC37H67NO
Molecular Weight541.95 g/mol
Exact Mass541.52
IUPAC Name2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine
SMILESCCCCCCCCCCCCCCCCCCC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C37H67NO/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-34-31-36(5,6)38(37(8-2,9-3)32-34)39-33(4)35-29-26-24-27-30-35/h24,26-27,29-30,33-34H,7-23,25,28,31-32H2,1-6H3
InChIKeyZAUJHXRXUCWWSA-UHFFFAOYSA-N
XLogP12.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.95
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 21361325
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
N-[(4S)-2,2-diethyl-6,6-dimethyl-1-[(1S)-1-phenylethoxy]piperidin-4-yl]nonanamide
CID 129394565
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide
CID 22992781
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
CID 22992807
3-decyl-7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58982381
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide
CID 22992797
1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine
CID 121244599
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574
2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 69411966

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine?
The IUPAC name of 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine (CID 174431842) is 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine.
What is the SMILES notation for 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine?
The canonical SMILES for 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine is CCCCCCCCCCCCCCCCCCC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.
What is the InChIKey of 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine?
The InChIKey is ZAUJHXRXUCWWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H67NO/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-34-31-36(5,6)38(37(8-2,9-3)32-34)39-33(4)35-29-26-24-27-30-35/h24,26-27,29-30,33-34H,7-23,25,28,31-32H2,1-6H3.
What are the key properties of 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine?
2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine has a molecular weight of 541.95 g/mol, XLogP of 12.38, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine is sourced from PubChem (CID 174431842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).