(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine

C13H27FN2 — CID 126753155

IUPAC(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine
SMILESCN(C)C[C@@H](F)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27FN2/c1-13(2,3)16-8-6-11(7-9-16)12(14)10-15(4)5/h11-12H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyPOQZHQDXJMWBPH-GFCCVEGCSA-N
MW230.37 g/mol
LogP2.40
Rot. Bonds3

About (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine

(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine (PubChem CID 126753155) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine
PubChem CID126753155
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine
SMILESCN(C)C[C@@H](F)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27FN2/c1-13(2,3)16-8-6-11(7-9-16)12(14)10-15(4)5/h11-12H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyPOQZHQDXJMWBPH-GFCCVEGCSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine?
The IUPAC name of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine (CID 126753155) is (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine.
What is the SMILES notation for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine?
The canonical SMILES for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine is CN(C)C[C@@H](F)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine?
The InChIKey is POQZHQDXJMWBPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27FN2/c1-13(2,3)16-8-6-11(7-9-16)12(14)10-15(4)5/h11-12H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine?
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine has a molecular weight of 230.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoro-N,N-dimethylethanamine is sourced from PubChem (CID 126753155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).