4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine

C25H50N2 — CID 126725516

IUPAC4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)CCC(C)(C)C2CCCN2C(C)(C)C)CC1
InChIInChI=1S/C25H50N2/c1-22(2,3)20-13-18-26(19-14-20)25(9,10)16-15-24(7,8)21-12-11-17-27(21)23(4,5)6/h20-21H,11-19H2,1-10H3
InChIKeyOFHLYSVDNWJBRC-UHFFFAOYSA-N
MW378.69 g/mol
LogP6.59
Rot. Bonds5

About 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine

4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine (PubChem CID 126725516) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine
PubChem CID126725516
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)CCC(C)(C)C2CCCN2C(C)(C)C)CC1
InChIInChI=1S/C25H50N2/c1-22(2,3)20-13-18-26(19-14-20)25(9,10)16-15-24(7,8)21-12-11-17-27(21)23(4,5)6/h20-21H,11-19H2,1-10H3
InChIKeyOFHLYSVDNWJBRC-UHFFFAOYSA-N
XLogP6.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
The IUPAC name of 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine (CID 126725516) is 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine is CC(C)(C)C1CCN(C(C)(C)CCC(C)(C)C2CCCN2C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
The InChIKey is OFHLYSVDNWJBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2/c1-22(2,3)20-13-18-26(19-14-20)25(9,10)16-15-24(7,8)21-12-11-17-27(21)23(4,5)6/h20-21H,11-19H2,1-10H3.
What are the key properties of 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine has a molecular weight of 378.69 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine is sourced from PubChem (CID 126725516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).