(2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine

C21H36N2 — CID 71625084

IUPAC(2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine
SMILESCCCCCCCCC[C@@H]1CN[C@H](C)CN1Cc1ccccc1
InChIInChI=1S/C21H36N2/c1-3-4-5-6-7-8-12-15-21-16-22-19(2)17-23(21)18-20-13-10-9-11-14-20/h9-11,13-14,19,21-22H,3-8,12,15-18H2,1-2H3/t19-,21-/m1/s1
InChIKeyUXIFSRRMGBJFIO-TZIWHRDSSA-N
MW316.53 g/mol
LogP4.99
Rot. Bonds10

About (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine

(2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine (PubChem CID 71625084) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine.

Molecular Properties

Compound Name(2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine
PubChem CID71625084
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name(2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine
SMILESCCCCCCCCC[C@@H]1CN[C@H](C)CN1Cc1ccccc1
InChIInChI=1S/C21H36N2/c1-3-4-5-6-7-8-12-15-21-16-22-19(2)17-23(21)18-20-13-10-9-11-14-20/h9-11,13-14,19,21-22H,3-8,12,15-18H2,1-2H3/t19-,21-/m1/s1
InChIKeyUXIFSRRMGBJFIO-TZIWHRDSSA-N
XLogP4.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine?
The IUPAC name of (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine (CID 71625084) is (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine.
What is the SMILES notation for (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine?
The canonical SMILES for (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine is CCCCCCCCC[C@@H]1CN[C@H](C)CN1Cc1ccccc1.
What is the InChIKey of (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine?
The InChIKey is UXIFSRRMGBJFIO-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H36N2/c1-3-4-5-6-7-8-12-15-21-16-22-19(2)17-23(21)18-20-13-10-9-11-14-20/h9-11,13-14,19,21-22H,3-8,12,15-18H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine?
(2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine has a molecular weight of 316.53 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-benzyl-5-methyl-2-nonylpiperazine is sourced from PubChem (CID 71625084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).