(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine

C10H20F2N2 — CID 176559353

IUPAC(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)[C@H](C(F)F)C1
InChIInChI=1S/C10H20F2N2/c1-4-13-5-6-14(8(2)3)9(7-13)10(11)12/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyJVFBYYGCMHCQEW-VIFPVBQESA-N
MW206.28 g/mol
LogP1.67
Rot. Bonds3

About (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine

(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine (PubChem CID 176559353) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
PubChem CID176559353
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)[C@H](C(F)F)C1
InChIInChI=1S/C10H20F2N2/c1-4-13-5-6-14(8(2)3)9(7-13)10(11)12/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyJVFBYYGCMHCQEW-VIFPVBQESA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
CID 167076354
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine
CID 176559079
4-ethyl-1-propan-2-ylpiperazine-2-carboxamide
CID 167076261
(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
CID 140925009
(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
CID 172575447
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
(1R)-1-(1-ethylpyrrolidin-3-yl)-N,N-dimethylethanamine
CID 163831391
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine?
The IUPAC name of (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine (CID 176559353) is (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine is CCN1CCN(C(C)C)[C@H](C(F)F)C1.
What is the InChIKey of (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine?
The InChIKey is JVFBYYGCMHCQEW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20F2N2/c1-4-13-5-6-14(8(2)3)9(7-13)10(11)12/h8-10H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine?
(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine has a molecular weight of 206.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 176559353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).