4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine

C25H49N3 — CID 129168163

IUPAC4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(CC(C)N3CCC(C)(C)CC3)C2)CC1
InChIInChI=1S/C25H49N3/c1-20(2)26-13-9-23(10-14-26)25(6,7)28-15-8-22(19-28)18-21(3)27-16-11-24(4,5)12-17-27/h20-23H,8-19H2,1-7H3
InChIKeyMOBBSOOBMNQDIG-UHFFFAOYSA-N
MW391.69 g/mol
LogP5.11
Rot. Bonds6

About 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine

4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine (PubChem CID 129168163) has the molecular formula C25H49N3 and a molecular weight of 391.69 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
PubChem CID129168163
Molecular FormulaC25H49N3
Molecular Weight391.69 g/mol
Exact Mass391.39
IUPAC Name4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(CC(C)N3CCC(C)(C)CC3)C2)CC1
InChIInChI=1S/C25H49N3/c1-20(2)26-13-9-23(10-14-26)25(6,7)28-15-8-22(19-28)18-21(3)27-16-11-24(4,5)12-17-27/h20-23H,8-19H2,1-7H3
InChIKeyMOBBSOOBMNQDIG-UHFFFAOYSA-N
XLogP5.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
The IUPAC name of 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine (CID 129168163) is 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine.
What is the SMILES notation for 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
The canonical SMILES for 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine is CC(C)N1CCC(C(C)(C)N2CCC(CC(C)N3CCC(C)(C)CC3)C2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
The InChIKey is MOBBSOOBMNQDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N3/c1-20(2)26-13-9-23(10-14-26)25(6,7)28-15-8-22(19-28)18-21(3)27-16-11-24(4,5)12-17-27/h20-23H,8-19H2,1-7H3.
What are the key properties of 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine has a molecular weight of 391.69 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine is sourced from PubChem (CID 129168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).