1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine

C14H29FN2 — CID 146652701

IUPAC1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine
SMILESCC1CN(C(C)(C)C)C(CF)CN1C(C)(C)C
InChIInChI=1S/C14H29FN2/c1-11-9-17(14(5,6)7)12(8-15)10-16(11)13(2,3)4/h11-12H,8-10H2,1-7H3
InChIKeySNOOUMNIUMKICR-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.93
Rot. Bonds1

About 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine

1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine (PubChem CID 146652701) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine.

Molecular Properties

Compound Name1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine
PubChem CID146652701
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine
SMILESCC1CN(C(C)(C)C)C(CF)CN1C(C)(C)C
InChIInChI=1S/C14H29FN2/c1-11-9-17(14(5,6)7)12(8-15)10-16(11)13(2,3)4/h11-12H,8-10H2,1-7H3
InChIKeySNOOUMNIUMKICR-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine?
The IUPAC name of 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine (CID 146652701) is 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine.
What is the SMILES notation for 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine?
The canonical SMILES for 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine is CC1CN(C(C)(C)C)C(CF)CN1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine?
The InChIKey is SNOOUMNIUMKICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-11-9-17(14(5,6)7)12(8-15)10-16(11)13(2,3)4/h11-12H,8-10H2,1-7H3.
What are the key properties of 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine?
1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2-(fluoromethyl)-5-methylpiperazine is sourced from PubChem (CID 146652701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).