4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine

C33H65N3 — CID 121247902

IUPAC4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(CCC(C2CC(C(C)C)NC(C)(C)C2)C2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C33H65N3/c1-21(2)28-15-24(18-31(7,8)34-28)13-14-27(25-16-29(22(3)4)35-32(9,10)19-25)26-17-30(23(5)6)36-33(11,12)20-26/h21-30,34-36H,13-20H2,1-12H3
InChIKeySZZVAFKGJPOXKA-UHFFFAOYSA-N
MW503.90 g/mol
LogP7.79
Rot. Bonds8

About 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine

4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine (PubChem CID 121247902) has the molecular formula C33H65N3 and a molecular weight of 503.90 g/mol. Its IUPAC name is 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine
PubChem CID121247902
Molecular FormulaC33H65N3
Molecular Weight503.90 g/mol
Exact Mass503.52
IUPAC Name4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(CCC(C2CC(C(C)C)NC(C)(C)C2)C2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C33H65N3/c1-21(2)28-15-24(18-31(7,8)34-28)13-14-27(25-16-29(22(3)4)35-32(9,10)19-25)26-17-30(23(5)6)36-33(11,12)20-26/h21-30,34-36H,13-20H2,1-12H3
InChIKeySZZVAFKGJPOXKA-UHFFFAOYSA-N
XLogP7.79
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.90
LogP ≤ 57.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The IUPAC name of 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine (CID 121247902) is 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine.
What is the SMILES notation for 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The canonical SMILES for 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine is CC(C)C1CC(CCC(C2CC(C(C)C)NC(C)(C)C2)C2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The InChIKey is SZZVAFKGJPOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65N3/c1-21(2)28-15-24(18-31(7,8)34-28)13-14-27(25-16-29(22(3)4)35-32(9,10)19-25)26-17-30(23(5)6)36-33(11,12)20-26/h21-30,34-36H,13-20H2,1-12H3.
What are the key properties of 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine has a molecular weight of 503.90 g/mol, XLogP of 7.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)propyl]-2,2-dimethyl-6-propan-2-ylpiperidine is sourced from PubChem (CID 121247902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).