1-tert-butyl-3-methylpiperidine

C10H21N — CID 587674

IUPAC1-tert-butyl-3-methylpiperidine
SMILESCC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-9-6-5-7-11(8-9)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyFNSTYQAGAIXKDC-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds

About 1-tert-butyl-3-methylpiperidine

1-tert-butyl-3-methylpiperidine (PubChem CID 587674) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-tert-butyl-3-methylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-3-methylpiperidine
PubChem CID587674
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-tert-butyl-3-methylpiperidine
SMILESCC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-9-6-5-7-11(8-9)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyFNSTYQAGAIXKDC-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylpiperidine?
The IUPAC name of 1-tert-butyl-3-methylpiperidine (CID 587674) is 1-tert-butyl-3-methylpiperidine.
What is the SMILES notation for 1-tert-butyl-3-methylpiperidine?
The canonical SMILES for 1-tert-butyl-3-methylpiperidine is CC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-methylpiperidine?
The InChIKey is FNSTYQAGAIXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9-6-5-7-11(8-9)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylpiperidine?
1-tert-butyl-3-methylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylpiperidine is sourced from PubChem (CID 587674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).