(2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine

C19H39FN2 — CID 163499601

IUPAC(2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)C[C@@H](CN1CCN(C)[C@@H](CC(C)C)C1)[C@H](C)CCF
InChIInChI=1S/C19H39FN2/c1-15(2)11-18(17(5)7-8-20)13-22-10-9-21(6)19(14-22)12-16(3)4/h15-19H,7-14H2,1-6H3/t17-,18+,19+/m1/s1
InChIKeyCTOXMVLSABZWKJ-QYZOEREBSA-N
MW314.53 g/mol
LogP4.31
Rot. Bonds9

About (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine

(2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine (PubChem CID 163499601) has the molecular formula C19H39FN2 and a molecular weight of 314.53 g/mol. Its IUPAC name is (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name(2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine
PubChem CID163499601
Molecular FormulaC19H39FN2
Molecular Weight314.53 g/mol
Exact Mass314.31
IUPAC Name(2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)C[C@@H](CN1CCN(C)[C@@H](CC(C)C)C1)[C@H](C)CCF
InChIInChI=1S/C19H39FN2/c1-15(2)11-18(17(5)7-8-20)13-22-10-9-21(6)19(14-22)12-16(3)4/h15-19H,7-14H2,1-6H3/t17-,18+,19+/m1/s1
InChIKeyCTOXMVLSABZWKJ-QYZOEREBSA-N
XLogP4.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine (CID 163499601) is (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine is CC(C)C[C@@H](CN1CCN(C)[C@@H](CC(C)C)C1)[C@H](C)CCF.
What is the InChIKey of (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is CTOXMVLSABZWKJ-QYZOEREBSA-N. The full InChI is InChI=1S/C19H39FN2/c1-15(2)11-18(17(5)7-8-20)13-22-10-9-21(6)19(14-22)12-16(3)4/h15-19H,7-14H2,1-6H3/t17-,18+,19+/m1/s1.
What are the key properties of (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine?
(2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 314.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R,3R)-5-fluoro-3-methyl-2-(2-methylpropyl)pentyl]-1-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 163499601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).