1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine

C19H39N — CID 171424047

IUPAC1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine
SMILESCC(C)(C)CCC1(C(C)(C)C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H39N/c1-16(2,3)10-11-19(17(4,5)6)12-14-20(15-13-19)18(7,8)9/h10-15H2,1-9H3
InChIKeyIUWRFFBRCYRBIU-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.74
Rot. Bonds2

About 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine

1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine (PubChem CID 171424047) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine
PubChem CID171424047
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine
SMILESCC(C)(C)CCC1(C(C)(C)C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H39N/c1-16(2,3)10-11-19(17(4,5)6)12-14-20(15-13-19)18(7,8)9/h10-15H2,1-9H3
InChIKeyIUWRFFBRCYRBIU-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine
CID 171424187
CID 174065957
CID 174065957
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
CID 58993905
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
CID 153486080
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
(4-amino-1-tert-butylpiperidin-4-yl)methanol
CID 3742222
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane
CID 167004629
9-tert-butyl-4-(5,5-dimethylhexyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138656844
1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
CID 118031425

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine?
The IUPAC name of 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine (CID 171424047) is 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine.
What is the SMILES notation for 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine?
The canonical SMILES for 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine is CC(C)(C)CCC1(C(C)(C)C)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine?
The InChIKey is IUWRFFBRCYRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-16(2,3)10-11-19(17(4,5)6)12-14-20(15-13-19)18(7,8)9/h10-15H2,1-9H3.
What are the key properties of 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine?
1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine has a molecular weight of 281.53 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine is sourced from PubChem (CID 171424047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).