(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine

C15H28F2N2O — CID 124728280

IUPAC(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
SMILESCOCCN1CCN(C[C@@H]2CCCC(F)(F)C2)C[C@H]1C
InChIInChI=1S/C15H28F2N2O/c1-13-11-18(6-7-19(13)8-9-20-2)12-14-4-3-5-15(16,17)10-14/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyDHMBFZWXRMMKMD-ZIAGYGMSSA-N
MW290.40 g/mol
LogP2.46
Rot. Bonds5

About (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine

(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine (PubChem CID 124728280) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
PubChem CID124728280
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
SMILESCOCCN1CCN(C[C@@H]2CCCC(F)(F)C2)C[C@H]1C
InChIInChI=1S/C15H28F2N2O/c1-13-11-18(6-7-19(13)8-9-20-2)12-14-4-3-5-15(16,17)10-14/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyDHMBFZWXRMMKMD-ZIAGYGMSSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-Difluoro-1-morpholin-4-ylcyclohexyl)methanamine
CID 117751223
4-(4,4-Difluoro-1-methylcyclohexyl)morpholine
CID 134562135
3-Ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 138617821
1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
Ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345540
(3S)-1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride
CID 156774356
N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 160862261
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 171598564
4-(3-Fluoro-4-methylcyclohexyl)morpholine
CID 172367641
1-[(4,4-Difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride
CID 175147385
4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine
CID 176992500
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine?
The IUPAC name of (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine (CID 124728280) is (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine?
The canonical SMILES for (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine is COCCN1CCN(C[C@@H]2CCCC(F)(F)C2)C[C@H]1C.
What is the InChIKey of (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine?
The InChIKey is DHMBFZWXRMMKMD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28F2N2O/c1-13-11-18(6-7-19(13)8-9-20-2)12-14-4-3-5-15(16,17)10-14/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine?
(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine has a molecular weight of 290.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine is sourced from PubChem (CID 124728280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).