4-butyl-1-tert-butyl-4-methoxypiperidine

C14H29NO — CID 134312342

IUPAC4-butyl-1-tert-butyl-4-methoxypiperidine
SMILESCCCCC1(OC)CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-6-7-8-14(16-5)9-11-15(12-10-14)13(2,3)4/h6-12H2,1-5H3
InChIKeyAFGGXWKVDSUXDK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.46
Rot. Bonds4

About 4-butyl-1-tert-butyl-4-methoxypiperidine

4-butyl-1-tert-butyl-4-methoxypiperidine (PubChem CID 134312342) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-butyl-1-tert-butyl-4-methoxypiperidine.

Molecular Properties

Compound Name4-butyl-1-tert-butyl-4-methoxypiperidine
PubChem CID134312342
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-butyl-1-tert-butyl-4-methoxypiperidine
SMILESCCCCC1(OC)CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-6-7-8-14(16-5)9-11-15(12-10-14)13(2,3)4/h6-12H2,1-5H3
InChIKeyAFGGXWKVDSUXDK-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-tert-butyl-4-ethoxypiperidine
CID 174056579
1-methoxy-1-propylcyclobutane
CID 118668756
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate
CID 90419634
1-butyl-1,3-dimethoxycyclohexane
CID 140988786
1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
CID 105468787
4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158
1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 18597150
CID 174065957
CID 174065957
1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine
CID 171424047
2-butyl-1-methoxy-2-methylpyrrolidine
CID 174675715
8-tert-butyl-2-ethyl-2,8-diazaspiro[4.5]decane
CID 147776127

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-tert-butyl-4-methoxypiperidine?
The IUPAC name of 4-butyl-1-tert-butyl-4-methoxypiperidine (CID 134312342) is 4-butyl-1-tert-butyl-4-methoxypiperidine.
What is the SMILES notation for 4-butyl-1-tert-butyl-4-methoxypiperidine?
The canonical SMILES for 4-butyl-1-tert-butyl-4-methoxypiperidine is CCCCC1(OC)CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-butyl-1-tert-butyl-4-methoxypiperidine?
The InChIKey is AFGGXWKVDSUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-8-14(16-5)9-11-15(12-10-14)13(2,3)4/h6-12H2,1-5H3.
What are the key properties of 4-butyl-1-tert-butyl-4-methoxypiperidine?
4-butyl-1-tert-butyl-4-methoxypiperidine has a molecular weight of 227.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-tert-butyl-4-methoxypiperidine is sourced from PubChem (CID 134312342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).