(2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine

C23H32N2 — CID 73353426

IUPAC(2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine
SMILESCCCCC[C@@H]1CN[C@H](C)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2/c1-3-4-7-16-22-17-24-19(2)18-25(22)23(20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,19,22-24H,3-4,7,16-18H2,1-2H3/t19-,22-/m1/s1
InChIKeyXLEJRQGWUIDJBB-DENIHFKCSA-N
MW336.52 g/mol
LogP5.02
Rot. Bonds7

About (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine

(2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine (PubChem CID 73353426) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine.

Molecular Properties

Compound Name(2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine
PubChem CID73353426
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name(2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine
SMILESCCCCC[C@@H]1CN[C@H](C)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2/c1-3-4-7-16-22-17-24-19(2)18-25(22)23(20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,19,22-24H,3-4,7,16-18H2,1-2H3/t19-,22-/m1/s1
InChIKeyXLEJRQGWUIDJBB-DENIHFKCSA-N
XLogP5.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.02
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-benzhydryl-5-methyl-2-pentylpiperazine?
The IUPAC name of (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine (CID 73353426) is (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine.
What is the SMILES notation for (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine?
The canonical SMILES for (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine is CCCCC[C@@H]1CN[C@H](C)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine?
The InChIKey is XLEJRQGWUIDJBB-DENIHFKCSA-N. The full InChI is InChI=1S/C23H32N2/c1-3-4-7-16-22-17-24-19(2)18-25(22)23(20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,19,22-24H,3-4,7,16-18H2,1-2H3/t19-,22-/m1/s1.
What are the key properties of (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine?
(2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine has a molecular weight of 336.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-benzhydryl-5-methyl-2-pentylpiperazine is sourced from PubChem (CID 73353426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).