(2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine

C12H25FN2 — CID 71202991

IUPAC(2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine
SMILESCC(F)CN1CCN(C(C)(C)C)[C@H](C)C1
InChIInChI=1S/C12H25FN2/c1-10(13)8-14-6-7-15(11(2)9-14)12(3,4)5/h10-11H,6-9H2,1-5H3/t10?,11-/m1/s1
InChIKeyCQULQFZIPGXDDX-RRKGBCIJSA-N
MW216.34 g/mol
LogP2.15
Rot. Bonds2

About (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine

(2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine (PubChem CID 71202991) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine
PubChem CID71202991
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name(2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine
SMILESCC(F)CN1CCN(C(C)(C)C)[C@H](C)C1
InChIInChI=1S/C12H25FN2/c1-10(13)8-14-6-7-15(11(2)9-14)12(3,4)5/h10-11H,6-9H2,1-5H3/t10?,11-/m1/s1
InChIKeyCQULQFZIPGXDDX-RRKGBCIJSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine (CID 71202991) is (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine is CC(F)CN1CCN(C(C)(C)C)[C@H](C)C1.
What is the InChIKey of (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
The InChIKey is CQULQFZIPGXDDX-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25FN2/c1-10(13)8-14-6-7-15(11(2)9-14)12(3,4)5/h10-11H,6-9H2,1-5H3/t10?,11-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
(2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine has a molecular weight of 216.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine is sourced from PubChem (CID 71202991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).