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

C12H25FN2 — CID 71202995

IUPAC(2S)-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-/m0/s1
InChIKeyCQULQFZIPGXDDX-DTIOYNMSSA-N
MW216.34 g/mol
LogP2.15
Rot. Bonds2

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

(2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine (PubChem CID 71202995) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine
PubChem CID71202995
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name(2S)-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-/m0/s1
InChIKeyCQULQFZIPGXDDX-DTIOYNMSSA-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

Analyze (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine (CID 71202995) is (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
The canonical SMILES for (2S)-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 (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
The InChIKey is CQULQFZIPGXDDX-DTIOYNMSSA-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-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine?
(2S)-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 (2S)-1-tert-butyl-4-(2-fluoropropyl)-2-methylpiperazine is sourced from PubChem (CID 71202995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).