1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine

C20H31NO — CID 3076288

IUPAC1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine
SMILESCC1(C)CC(CCN2CCCCC2)(c2ccccc2)CCO1
InChIInChI=1S/C20H31NO/c1-19(2)17-20(12-16-22-19,18-9-5-3-6-10-18)11-15-21-13-7-4-8-14-21/h3,5-6,9-10H,4,7-8,11-17H2,1-2H3
InChIKeyASTSSGAIOAXHCU-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.39
Rot. Bonds4

About 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine

1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine (PubChem CID 3076288) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine
PubChem CID3076288
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine
SMILESCC1(C)CC(CCN2CCCCC2)(c2ccccc2)CCO1
InChIInChI=1S/C20H31NO/c1-19(2)17-20(12-16-22-19,18-9-5-3-6-10-18)11-15-21-13-7-4-8-14-21/h3,5-6,9-10H,4,7-8,11-17H2,1-2H3
InChIKeyASTSSGAIOAXHCU-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine (CID 3076288) is 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine is CC1(C)CC(CCN2CCCCC2)(c2ccccc2)CCO1.
What is the InChIKey of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine?
The InChIKey is ASTSSGAIOAXHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-19(2)17-20(12-16-22-19,18-9-5-3-6-10-18)11-15-21-13-7-4-8-14-21/h3,5-6,9-10H,4,7-8,11-17H2,1-2H3.
What are the key properties of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine?
1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine has a molecular weight of 301.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 3076288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).