2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine

C25H43NO3 — CID 91323827

IUPAC2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine
SMILESCCCOC1(OCCC)CC(C)(C)N(OCCc2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C25H43NO3/c1-7-17-27-25(28-18-8-2)20-23(5,6)26(24(9-3,10-4)21-25)29-19-16-22-14-12-11-13-15-22/h11-15H,7-10,16-21H2,1-6H3
InChIKeyIPUBCHVVFNFJJO-UHFFFAOYSA-N
MW405.62 g/mol
LogP6.14
Rot. Bonds12

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

2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine (PubChem CID 91323827) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine.

Molecular Properties

Compound Name2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine
PubChem CID91323827
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC Name2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine
SMILESCCCOC1(OCCC)CC(C)(C)N(OCCc2ccccc2)C(CC)(CC)C1
InChIInChI=1S/C25H43NO3/c1-7-17-27-25(28-18-8-2)20-23(5,6)26(24(9-3,10-4)21-25)29-19-16-22-14-12-11-13-15-22/h11-15H,7-10,16-21H2,1-6H3
InChIKeyIPUBCHVVFNFJJO-UHFFFAOYSA-N
XLogP6.14
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine?
The IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine (CID 91323827) is 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine.
What is the SMILES notation for 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine?
The canonical SMILES for 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine is CCCOC1(OCCC)CC(C)(C)N(OCCc2ccccc2)C(CC)(CC)C1.
What is the InChIKey of 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine?
The InChIKey is IPUBCHVVFNFJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO3/c1-7-17-27-25(28-18-8-2)20-23(5,6)26(24(9-3,10-4)21-25)29-19-16-22-14-12-11-13-15-22/h11-15H,7-10,16-21H2,1-6H3.
What are the key properties of 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine?
2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine has a molecular weight of 405.62 g/mol, XLogP of 6.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine is sourced from PubChem (CID 91323827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).