(4S)-1-tert-butyl-2,2,4-trimethylpiperidine

C12H25N — CID 177123867

IUPAC(4S)-1-tert-butyl-2,2,4-trimethylpiperidine
SMILESC[C@H]1CCN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C12H25N/c1-10-7-8-13(11(2,3)4)12(5,6)9-10/h10H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyOUQZIOIOWORKEY-JTQLQIEISA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds

About (4S)-1-tert-butyl-2,2,4-trimethylpiperidine

(4S)-1-tert-butyl-2,2,4-trimethylpiperidine (PubChem CID 177123867) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (4S)-1-tert-butyl-2,2,4-trimethylpiperidine.

Molecular Properties

Compound Name(4S)-1-tert-butyl-2,2,4-trimethylpiperidine
PubChem CID177123867
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(4S)-1-tert-butyl-2,2,4-trimethylpiperidine
SMILESC[C@H]1CCN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C12H25N/c1-10-7-8-13(11(2,3)4)12(5,6)9-10/h10H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyOUQZIOIOWORKEY-JTQLQIEISA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-tert-butyl-2,2-dimethylpiperidine
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1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine
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1,2,2,4,6,6-hexamethylpiperidine;methane
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1,2,2,4,6,6-hexamethylpiperidine;vanadium
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Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-2,2,4-trimethylpiperidine?
The IUPAC name of (4S)-1-tert-butyl-2,2,4-trimethylpiperidine (CID 177123867) is (4S)-1-tert-butyl-2,2,4-trimethylpiperidine.
What is the SMILES notation for (4S)-1-tert-butyl-2,2,4-trimethylpiperidine?
The canonical SMILES for (4S)-1-tert-butyl-2,2,4-trimethylpiperidine is C[C@H]1CCN(C(C)(C)C)C(C)(C)C1.
What is the InChIKey of (4S)-1-tert-butyl-2,2,4-trimethylpiperidine?
The InChIKey is OUQZIOIOWORKEY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N/c1-10-7-8-13(11(2,3)4)12(5,6)9-10/h10H,7-9H2,1-6H3/t10-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-2,2,4-trimethylpiperidine?
(4S)-1-tert-butyl-2,2,4-trimethylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-2,2,4-trimethylpiperidine is sourced from PubChem (CID 177123867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).