3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

C16H31N3 — CID 70997013

IUPAC3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(C1CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C16H31N3/c1-16(2,3)19-9-7-13(8-10-19)18-11-14-5-6-15(12-18)17(14)4/h13-15H,5-12H2,1-4H3
InChIKeyPCFQCYZMLRMRNU-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.03
Rot. Bonds1

About 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 70997013) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID70997013
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(C1CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C16H31N3/c1-16(2,3)19-9-7-13(8-10-19)18-11-14-5-6-15(12-18)17(14)4/h13-15H,5-12H2,1-4H3
InChIKeyPCFQCYZMLRMRNU-UHFFFAOYSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 70997013) is 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CN(C1CCN(C(C)(C)C)CC1)C2.
What is the InChIKey of 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is PCFQCYZMLRMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2,3)19-9-7-13(8-10-19)18-11-14-5-6-15(12-18)17(14)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 265.44 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpiperidin-4-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 70997013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).