1-butan-2-yl-4-tert-butyl-4-methylpiperidine

C14H29N — CID 174167928

IUPAC1-butan-2-yl-4-tert-butyl-4-methylpiperidine
SMILESCCC(C)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-7-12(2)15-10-8-14(6,9-11-15)13(3,4)5/h12H,7-11H2,1-6H3
InChIKeyVWIYPROQBZSOPA-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds2

About 1-butan-2-yl-4-tert-butyl-4-methylpiperidine

1-butan-2-yl-4-tert-butyl-4-methylpiperidine (PubChem CID 174167928) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butyl-4-methylpiperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-tert-butyl-4-methylpiperidine
PubChem CID174167928
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-butan-2-yl-4-tert-butyl-4-methylpiperidine
SMILESCCC(C)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-7-12(2)15-10-8-14(6,9-11-15)13(3,4)5/h12H,7-11H2,1-6H3
InChIKeyVWIYPROQBZSOPA-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 122645241
1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine
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1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
CID 62775737
2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane
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2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine
CID 62775189
4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine
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1-butan-2-yl-N,N-dimethylpiperidin-4-amine
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1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butyl-4-methylpiperidine?
The IUPAC name of 1-butan-2-yl-4-tert-butyl-4-methylpiperidine (CID 174167928) is 1-butan-2-yl-4-tert-butyl-4-methylpiperidine.
What is the SMILES notation for 1-butan-2-yl-4-tert-butyl-4-methylpiperidine?
The canonical SMILES for 1-butan-2-yl-4-tert-butyl-4-methylpiperidine is CCC(C)N1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-tert-butyl-4-methylpiperidine?
The InChIKey is VWIYPROQBZSOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-12(2)15-10-8-14(6,9-11-15)13(3,4)5/h12H,7-11H2,1-6H3.
What are the key properties of 1-butan-2-yl-4-tert-butyl-4-methylpiperidine?
1-butan-2-yl-4-tert-butyl-4-methylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-tert-butyl-4-methylpiperidine is sourced from PubChem (CID 174167928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).