1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine

C18H37N3 — CID 134335583

IUPAC1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
SMILESCC(C)(C)C1CCN(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-17(2,3)16-7-9-19(10-8-16)15-20-11-13-21(14-12-20)18(4,5)6/h16H,7-15H2,1-6H3
InChIKeyIVWVEMSJDRBXMN-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.12
Rot. Bonds2

About 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine

1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine (PubChem CID 134335583) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
PubChem CID134335583
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
SMILESCC(C)(C)C1CCN(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-17(2,3)16-7-9-19(10-8-16)15-20-11-13-21(14-12-20)18(4,5)6/h16H,7-15H2,1-6H3
InChIKeyIVWVEMSJDRBXMN-UHFFFAOYSA-N
XLogP3.12
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 176841720
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
(4-tert-butylpiperidin-1-yl)methylphosphane
CID 131973586
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841896
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
CID 153436977
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine
CID 176629984
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
CID 174080990
CID 174080990
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine (CID 134335583) is 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine is CC(C)(C)C1CCN(CN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine?
The InChIKey is IVWVEMSJDRBXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-17(2,3)16-7-9-19(10-8-16)15-20-11-13-21(14-12-20)18(4,5)6/h16H,7-15H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine?
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine has a molecular weight of 295.51 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine is sourced from PubChem (CID 134335583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).