4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine

C32H56N2O4 — CID 121244629

IUPAC4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine
SMILESCCCON1C(C(C)C)CC(Oc2ccc(OC3CC(C(C)C)N(OCCC)C(C)(C)C3)cc2)CC1(C)C
InChIInChI=1S/C32H56N2O4/c1-11-17-35-33-29(23(3)4)19-27(21-31(33,7)8)37-25-13-15-26(16-14-25)38-28-20-30(24(5)6)34(36-18-12-2)32(9,10)22-28/h13-16,23-24,27-30H,11-12,17-22H2,1-10H3
InChIKeyISLJSMPDRCXPGO-UHFFFAOYSA-N
MW532.81 g/mol
LogP7.66
Rot. Bonds12

About 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine

4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine (PubChem CID 121244629) has the molecular formula C32H56N2O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine.

Molecular Properties

Compound Name4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine
PubChem CID121244629
Molecular FormulaC32H56N2O4
Molecular Weight532.81 g/mol
Exact Mass532.42
IUPAC Name4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine
SMILESCCCON1C(C(C)C)CC(Oc2ccc(OC3CC(C(C)C)N(OCCC)C(C)(C)C3)cc2)CC1(C)C
InChIInChI=1S/C32H56N2O4/c1-11-17-35-33-29(23(3)4)19-27(21-31(33,7)8)37-25-13-15-26(16-14-25)38-28-20-30(24(5)6)34(36-18-12-2)32(9,10)22-28/h13-16,23-24,27-30H,11-12,17-22H2,1-10H3
InChIKeyISLJSMPDRCXPGO-UHFFFAOYSA-N
XLogP7.66
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine?
The IUPAC name of 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine (CID 121244629) is 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine.
What is the SMILES notation for 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine?
The canonical SMILES for 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine is CCCON1C(C(C)C)CC(Oc2ccc(OC3CC(C(C)C)N(OCCC)C(C)(C)C3)cc2)CC1(C)C.
What is the InChIKey of 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine?
The InChIKey is ISLJSMPDRCXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O4/c1-11-17-35-33-29(23(3)4)19-27(21-31(33,7)8)37-25-13-15-26(16-14-25)38-28-20-30(24(5)6)34(36-18-12-2)32(9,10)22-28/h13-16,23-24,27-30H,11-12,17-22H2,1-10H3.
What are the key properties of 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine?
4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine has a molecular weight of 532.81 g/mol, XLogP of 7.66, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine is sourced from PubChem (CID 121244629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).