1-butyl-2-tert-butylpiperidine

C13H27N — CID 58060832

IUPAC1-butyl-2-tert-butylpiperidine
SMILESCCCCN1CCCCC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-5-6-10-14-11-8-7-9-12(14)13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyPFUUSBZANOXYGM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds3

About 1-butyl-2-tert-butylpiperidine

1-butyl-2-tert-butylpiperidine (PubChem CID 58060832) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-butyl-2-tert-butylpiperidine.

Molecular Properties

Compound Name1-butyl-2-tert-butylpiperidine
PubChem CID58060832
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-butyl-2-tert-butylpiperidine
SMILESCCCCN1CCCCC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-5-6-10-14-11-8-7-9-12(14)13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyPFUUSBZANOXYGM-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-(2,2-dimethylpropyl)piperidine
CID 177261247
1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
CID 174970526
(1-butylazepan-2-yl)methanamine
CID 116640391
2-methyl-1-pentylazepane
CID 134994557
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-butyl-2-tert-butyl-5-cyclohexylpiperazine
CID 64859625
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
1-butylpyrrolidin-2-amine
CID 152748191
1-dodecyl-2-ethylpiperidine
CID 171569899
1-pentyl-2-propylpiperidine
CID 54429991
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-tert-butylpiperidine?
The IUPAC name of 1-butyl-2-tert-butylpiperidine (CID 58060832) is 1-butyl-2-tert-butylpiperidine.
What is the SMILES notation for 1-butyl-2-tert-butylpiperidine?
The canonical SMILES for 1-butyl-2-tert-butylpiperidine is CCCCN1CCCCC1C(C)(C)C.
What is the InChIKey of 1-butyl-2-tert-butylpiperidine?
The InChIKey is PFUUSBZANOXYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-10-14-11-8-7-9-12(14)13(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1-butyl-2-tert-butylpiperidine?
1-butyl-2-tert-butylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-tert-butylpiperidine is sourced from PubChem (CID 58060832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).