bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine

C35H74N4 — CID 161010366

IUPACbis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N/c2*1-9(2,3)10-7-5-4-6-8-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9/h2*4-8H2,1-3H3;9H,3-8H2,1-2H3;4-7H2,1-3H3
InChIKeyTXAYQIALPNUSHI-UHFFFAOYSA-N
MW551.01 g/mol
LogP8.55
Rot. Bonds2

About bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine

bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine (PubChem CID 161010366) has the molecular formula C35H74N4 and a molecular weight of 551.01 g/mol. Its IUPAC name is bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Namebis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
PubChem CID161010366
Molecular FormulaC35H74N4
Molecular Weight551.01 g/mol
Exact Mass550.59
IUPAC Namebis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N/c2*1-9(2,3)10-7-5-4-6-8-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9/h2*4-8H2,1-3H3;9H,3-8H2,1-2H3;4-7H2,1-3H3
InChIKeyTXAYQIALPNUSHI-UHFFFAOYSA-N
XLogP8.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.01
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine 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 bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
The IUPAC name of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine (CID 161010366) is bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine.
What is the SMILES notation for bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
The canonical SMILES for bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCCC1.
What is the InChIKey of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
The InChIKey is TXAYQIALPNUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C8H17N/c2*1-9(2,3)10-7-5-4-6-8-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-6-4-5-7-9/h2*4-8H2,1-3H3;9H,3-8H2,1-2H3;4-7H2,1-3H3.
What are the key properties of bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine has a molecular weight of 551.01 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine is sourced from PubChem (CID 161010366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).