4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine

C41H80N4 — CID 138751927

IUPAC4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
SMILESCC(C)CN1CCC(C(C)(C)C(C)(CC(C)(C2(C)CCN(C)CC2)C(C)(C)C2(C)CCN(C)C2)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C41H80N4/c1-32(2)29-44-22-15-34(16-23-44)36(5,6)40(11,35-17-24-45(25-18-35)33(3)4)30-41(12,38(9)19-26-42(13)27-20-38)37(7,8)39(10)21-28-43(14)31-39/h32-35H,15-31H2,1-14H3
InChIKeyBUMMGCGFIFKHJJ-UHFFFAOYSA-N
MW629.12 g/mol
LogP9.00
Rot. Bonds11

About 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine

4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine (PubChem CID 138751927) has the molecular formula C41H80N4 and a molecular weight of 629.12 g/mol. Its IUPAC name is 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine.

Molecular Properties

Compound Name4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
PubChem CID138751927
Molecular FormulaC41H80N4
Molecular Weight629.12 g/mol
Exact Mass628.64
IUPAC Name4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
SMILESCC(C)CN1CCC(C(C)(C)C(C)(CC(C)(C2(C)CCN(C)CC2)C(C)(C)C2(C)CCN(C)C2)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C41H80N4/c1-32(2)29-44-22-15-34(16-23-44)36(5,6)40(11,35-17-24-45(25-18-35)33(3)4)30-41(12,38(9)19-26-42(13)27-20-38)37(7,8)39(10)21-28-43(14)31-39/h32-35H,15-31H2,1-14H3
InChIKeyBUMMGCGFIFKHJJ-UHFFFAOYSA-N
XLogP9.00
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.12
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine?
The IUPAC name of 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine (CID 138751927) is 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine.
What is the SMILES notation for 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine?
The canonical SMILES for 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine is CC(C)CN1CCC(C(C)(C)C(C)(CC(C)(C2(C)CCN(C)CC2)C(C)(C)C2(C)CCN(C)C2)C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine?
The InChIKey is BUMMGCGFIFKHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H80N4/c1-32(2)29-44-22-15-34(16-23-44)36(5,6)40(11,35-17-24-45(25-18-35)33(3)4)30-41(12,38(9)19-26-42(13)27-20-38)37(7,8)39(10)21-28-43(14)31-39/h32-35H,15-31H2,1-14H3.
What are the key properties of 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine?
4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine has a molecular weight of 629.12 g/mol, XLogP of 9.00, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine is sourced from PubChem (CID 138751927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).