4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine

C15H29N — CID 129134140

IUPAC4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine
SMILESCC1CC(N2CCC(C)(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H29N/c1-12-10-13(11-12)16-8-6-15(5,7-9-16)14(2,3)4/h12-13H,6-11H2,1-5H3
InChIKeyIPGYYXYPFOUHDH-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds1

About 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine

4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine (PubChem CID 129134140) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine
PubChem CID129134140
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine
SMILESCC1CC(N2CCC(C)(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H29N/c1-12-10-13(11-12)16-8-6-15(5,7-9-16)14(2,3)4/h12-13H,6-11H2,1-5H3
InChIKeyIPGYYXYPFOUHDH-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine (CID 129134140) is 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine is CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
The InChIKey is IPGYYXYPFOUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12-10-13(11-12)16-8-6-15(5,7-9-16)14(2,3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine?
4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine is sourced from PubChem (CID 129134140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).