(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine

C18H34N2O — CID 140709152

IUPAC(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2C[C@@H](C)N(C3COC3)C[C@@H]2C)CC1
InChIInChI=1S/C18H34N2O/c1-13(2)16-5-7-17(8-6-16)19-9-15(4)20(10-14(19)3)18-11-21-12-18/h13-18H,5-12H2,1-4H3/t14-,15+,16?,17?/m0/s1
InChIKeyAEFRRRRHXUIRPT-NJINODPHSA-N
MW294.48 g/mol
LogP2.99
Rot. Bonds3

About (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine

(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 140709152) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID140709152
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2C[C@@H](C)N(C3COC3)C[C@@H]2C)CC1
InChIInChI=1S/C18H34N2O/c1-13(2)16-5-7-17(8-6-16)19-9-15(4)20(10-14(19)3)18-11-21-12-18/h13-18H,5-12H2,1-4H3/t14-,15+,16?,17?/m0/s1
InChIKeyAEFRRRRHXUIRPT-NJINODPHSA-N
XLogP2.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
CID 124624964
1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 171598564
4-(4-Propan-2-ylcyclohexyl)morpholine
CID 58344233
2,5-Ditert-butyl-1-(oxetan-3-yl)piperidine
CID 122428079
4-(4-Tert-butyl-4-propan-2-ylcyclohexyl)morpholine
CID 122679820
4-[1-(3-Propylhexyl)azetidin-3-yl]morpholine
CID 123255382
4-[1-(Oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine
CID 123927561
4-[4,4-Di(propan-2-yl)cyclohexyl]morpholine
CID 130233642
4-[4-[4-(4-Tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine
CID 131991575
N-[3-[1,6-bis(2-methylpropyl)piperidin-3-yl]-2-methylpropyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 137510876
3-[1,6-bis(2-methylpropyl)piperidin-3-yl]-N-(2-methoxyethyl)-2-methyl-N-propylpropan-1-amine
CID 137511323

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine (CID 140709152) is (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2C[C@@H](C)N(C3COC3)C[C@@H]2C)CC1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is AEFRRRRHXUIRPT-NJINODPHSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)16-5-7-17(8-6-16)19-9-15(4)20(10-14(19)3)18-11-21-12-18/h13-18H,5-12H2,1-4H3/t14-,15+,16?,17?/m0/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine?
(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 294.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 140709152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).