1,3-ditert-butylpiperidine;methane

C14H31N — CID 157116364

IUPAC1,3-ditert-butylpiperidine;methane
SMILESC.CC(C)(C)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H27N.CH4/c1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;/h11H,7-10H2,1-6H3;1H4
InChIKeyAHLIXVBCVOFKOS-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds

About 1,3-ditert-butylpiperidine;methane

1,3-ditert-butylpiperidine;methane (PubChem CID 157116364) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 1,3-ditert-butylpiperidine;methane.

Molecular Properties

Compound Name1,3-ditert-butylpiperidine;methane
PubChem CID157116364
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name1,3-ditert-butylpiperidine;methane
SMILESC.CC(C)(C)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H27N.CH4/c1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;/h11H,7-10H2,1-6H3;1H4
InChIKeyAHLIXVBCVOFKOS-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-tert-butyl-3-(2-iodopropan-2-yl)piperidine
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1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
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2,4-ditert-butyl-1-methylpiperazine;2,4-ditert-butylmorpholine;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
CID 157482074
1,3,5-tritert-butylpiperidine
CID 118013533
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
1-tert-butyl-3-isocyanopiperidine
CID 84765134
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylpiperidine;methane?
The IUPAC name of 1,3-ditert-butylpiperidine;methane (CID 157116364) is 1,3-ditert-butylpiperidine;methane.
What is the SMILES notation for 1,3-ditert-butylpiperidine;methane?
The canonical SMILES for 1,3-ditert-butylpiperidine;methane is C.CC(C)(C)C1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1,3-ditert-butylpiperidine;methane?
The InChIKey is AHLIXVBCVOFKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.CH4/c1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;/h11H,7-10H2,1-6H3;1H4.
What are the key properties of 1,3-ditert-butylpiperidine;methane?
1,3-ditert-butylpiperidine;methane has a molecular weight of 213.41 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylpiperidine;methane is sourced from PubChem (CID 157116364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).