1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine

C19H38FN3 — CID 135165055

IUPAC1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine
SMILESCC(C)(C)CN1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38FN3/c1-17(2,3)15-21-9-7-19(20,8-10-21)16-22-11-13-23(14-12-22)18(4,5)6/h7-16H2,1-6H3
InChIKeyVINSHRLHANURBD-UHFFFAOYSA-N
MW327.53 g/mol
LogP3.25
Rot. Bonds3

About 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine

1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine (PubChem CID 135165055) has the molecular formula C19H38FN3 and a molecular weight of 327.53 g/mol. Its IUPAC name is 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine
PubChem CID135165055
Molecular FormulaC19H38FN3
Molecular Weight327.53 g/mol
Exact Mass327.30
IUPAC Name1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine
SMILESCC(C)(C)CN1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38FN3/c1-17(2,3)15-21-9-7-19(20,8-10-21)16-22-11-13-23(14-12-22)18(4,5)6/h7-16H2,1-6H3
InChIKeyVINSHRLHANURBD-UHFFFAOYSA-N
XLogP3.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine (CID 135165055) is 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine is CC(C)(C)CN1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine?
The InChIKey is VINSHRLHANURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38FN3/c1-17(2,3)15-21-9-7-19(20,8-10-21)16-22-11-13-23(14-12-22)18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine?
1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine has a molecular weight of 327.53 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 135165055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).