1-tert-butyl-2,2-dimethylpiperidine

C22H46N2 — CID 161492133

IUPAC1-tert-butyl-2,2-dimethylpiperidine
SMILESCC(C)(C)N1CCCCC1(C)C.CC(C)(C)N1CCCCC1(C)C
InChIInChI=1S/2C11H23N/c2*1-10(2,3)12-9-7-6-8-11(12,4)5/h2*6-9H2,1-5H3
InChIKeyWFTCBLZJFLEQFE-UHFFFAOYSA-N
MW338.62 g/mol
LogP6.10
Rot. Bonds

About 1-tert-butyl-2,2-dimethylpiperidine

1-tert-butyl-2,2-dimethylpiperidine (PubChem CID 161492133) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethylpiperidine
PubChem CID161492133
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Name1-tert-butyl-2,2-dimethylpiperidine
SMILESCC(C)(C)N1CCCCC1(C)C.CC(C)(C)N1CCCCC1(C)C
InChIInChI=1S/2C11H23N/c2*1-10(2,3)12-9-7-6-8-11(12,4)5/h2*6-9H2,1-5H3
InChIKeyWFTCBLZJFLEQFE-UHFFFAOYSA-N
XLogP6.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2,2-dimethylpyrrolidine
CID 58450080
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
CID 162462248
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine
CID 114279985
(4S)-1-tert-butyl-2,2,4-trimethylpiperidine
CID 177123867
1,2,2,7,7-pentamethylazepane
CID 22946774
1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
CID 130211344
1-ethoxy-2,2-dimethylpiperidine
CID 175368577
1,4-ditert-butyl-5,5,7-trimethyl-1,4-diazocane
CID 138627615
1,2-ditert-butylpyrazolidine
CID 5242023
1-tert-butyl-2-ethynyl-2-phenylpyrrolidine
CID 158569826

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethylpiperidine?
The IUPAC name of 1-tert-butyl-2,2-dimethylpiperidine (CID 161492133) is 1-tert-butyl-2,2-dimethylpiperidine.
What is the SMILES notation for 1-tert-butyl-2,2-dimethylpiperidine?
The canonical SMILES for 1-tert-butyl-2,2-dimethylpiperidine is CC(C)(C)N1CCCCC1(C)C.CC(C)(C)N1CCCCC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethylpiperidine?
The InChIKey is WFTCBLZJFLEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N/c2*1-10(2,3)12-9-7-6-8-11(12,4)5/h2*6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-2,2-dimethylpiperidine?
1-tert-butyl-2,2-dimethylpiperidine has a molecular weight of 338.62 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethylpiperidine is sourced from PubChem (CID 161492133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).