(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine

C13H20N2O — CID 95443898

IUPAC(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
SMILESCOc1ccc(N2C[C@@H](C)NC[C@@H]2C)cc1
InChIInChI=1S/C13H20N2O/c1-10-9-15(11(2)8-14-10)12-4-6-13(16-3)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyLWSNTKGYLRKNRD-MNOVXSKESA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds2

About (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine

(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine (PubChem CID 95443898) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
PubChem CID95443898
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
SMILESCOc1ccc(N2C[C@@H](C)NC[C@@H]2C)cc1
InChIInChI=1S/C13H20N2O/c1-10-9-15(11(2)8-14-10)12-4-6-13(16-3)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyLWSNTKGYLRKNRD-MNOVXSKESA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 70804072
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 11565121
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
(2S,5R)-1-(3-methoxy-4-nitrophenyl)-2,5-dimethylpiperazine
CID 68593129
2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
CID 112634968
1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406974
N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide
CID 64983798

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
The IUPAC name of (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine (CID 95443898) is (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
The canonical SMILES for (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine is COc1ccc(N2C[C@@H](C)NC[C@@H]2C)cc1.
What is the InChIKey of (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
The InChIKey is LWSNTKGYLRKNRD-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-9-15(11(2)8-14-10)12-4-6-13(16-3)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 95443898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).