(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine

C19H36F2N2O — CID 171598564

IUPAC(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
SMILESCC(C)C1CCC(CN2CCN(C(C)C)C[C@@H]2COC(F)F)CC1
InChIInChI=1S/C19H36F2N2O/c1-14(2)17-7-5-16(6-8-17)11-23-10-9-22(15(3)4)12-18(23)13-24-19(20)21/h14-19H,5-13H2,1-4H3/t16?,17?,18-/m1/s1
InChIKeyULMQFSBARFNRCH-DAWZGUTISA-N
MW346.51 g/mol
LogP4.08
Rot. Bonds7

About (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine

(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine (PubChem CID 171598564) has the molecular formula C19H36F2N2O and a molecular weight of 346.51 g/mol. Its IUPAC name is (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
PubChem CID171598564
Molecular FormulaC19H36F2N2O
Molecular Weight346.51 g/mol
Exact Mass346.28
IUPAC Name(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
SMILESCC(C)C1CCC(CN2CCN(C(C)C)C[C@@H]2COC(F)F)CC1
InChIInChI=1S/C19H36F2N2O/c1-14(2)17-7-5-16(6-8-17)11-23-10-9-22(15(3)4)12-18(23)13-24-19(20)21/h14-19H,5-13H2,1-4H3/t16?,17?,18-/m1/s1
InChIKeyULMQFSBARFNRCH-DAWZGUTISA-N
XLogP4.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(Oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130440259
1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774
(2S)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 100748040
4-[(3,3-Difluorocyclohexyl)methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 119038118
(2S)-4-[[(1S)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728278
(2R)-4-[[(1S)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728279
(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728280
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121
(2S)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709140
(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709152
(2R)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
The IUPAC name of (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine (CID 171598564) is (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine.
What is the SMILES notation for (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
The canonical SMILES for (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine is CC(C)C1CCC(CN2CCN(C(C)C)C[C@@H]2COC(F)F)CC1.
What is the InChIKey of (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
The InChIKey is ULMQFSBARFNRCH-DAWZGUTISA-N. The full InChI is InChI=1S/C19H36F2N2O/c1-14(2)17-7-5-16(6-8-17)11-23-10-9-22(15(3)4)12-18(23)13-24-19(20)21/h14-19H,5-13H2,1-4H3/t16?,17?,18-/m1/s1.
What are the key properties of (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine?
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine has a molecular weight of 346.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 171598564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).