4-tert-butyl-2-methyl-2-propylpiperidine

C13H27N — CID 167284074

IUPAC4-tert-butyl-2-methyl-2-propylpiperidine
SMILESCCCC1(C)CC(C(C)(C)C)CCN1
InChIInChI=1S/C13H27N/c1-6-8-13(5)10-11(7-9-14-13)12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyWZNFDCJFHFVYQT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds2

About 4-tert-butyl-2-methyl-2-propylpiperidine

4-tert-butyl-2-methyl-2-propylpiperidine (PubChem CID 167284074) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-2-propylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-2-propylpiperidine
PubChem CID167284074
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-tert-butyl-2-methyl-2-propylpiperidine
SMILESCCCC1(C)CC(C(C)(C)C)CCN1
InChIInChI=1S/C13H27N/c1-6-8-13(5)10-11(7-9-14-13)12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyWZNFDCJFHFVYQT-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
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(4-ethyl-2-methylpiperidin-2-yl)methanol
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CID 106976265
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
6-tert-butylspiro[2.4]heptane
CID 140640828
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
4-tert-butyl-1-methyl-1-propoxycyclohexane
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(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-2-propylpiperidine?
The IUPAC name of 4-tert-butyl-2-methyl-2-propylpiperidine (CID 167284074) is 4-tert-butyl-2-methyl-2-propylpiperidine.
What is the SMILES notation for 4-tert-butyl-2-methyl-2-propylpiperidine?
The canonical SMILES for 4-tert-butyl-2-methyl-2-propylpiperidine is CCCC1(C)CC(C(C)(C)C)CCN1.
What is the InChIKey of 4-tert-butyl-2-methyl-2-propylpiperidine?
The InChIKey is WZNFDCJFHFVYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-8-13(5)10-11(7-9-14-13)12(2,3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-methyl-2-propylpiperidine?
4-tert-butyl-2-methyl-2-propylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-2-propylpiperidine is sourced from PubChem (CID 167284074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).