4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine

C22H29NO — CID 154211162

IUPAC4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
SMILESCCN1C(C)CC(OC(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C22H29NO/c1-4-23-17(2)15-21(16-18(23)3)24-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22H,4,15-16H2,1-3H3
InChIKeyBEVKMWGXTCLFDM-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.05
Rot. Bonds5

About 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine

4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine (PubChem CID 154211162) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
PubChem CID154211162
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
SMILESCCN1C(C)CC(OC(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C22H29NO/c1-4-23-17(2)15-21(16-18(23)3)24-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22H,4,15-16H2,1-3H3
InChIKeyBEVKMWGXTCLFDM-UHFFFAOYSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
The IUPAC name of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine (CID 154211162) is 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine.
What is the SMILES notation for 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
The canonical SMILES for 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine is CCN1C(C)CC(OC(c2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
The InChIKey is BEVKMWGXTCLFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-4-23-17(2)15-21(16-18(23)3)24-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21-22H,4,15-16H2,1-3H3.
What are the key properties of 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine?
4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine is sourced from PubChem (CID 154211162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).