(2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine

C22H28N2 — CID 10592239

IUPAC(2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine
SMILESC=CCN1C[C@H](C)N(C(c2ccccc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C22H28N2/c1-4-15-23-16-19(3)24(17-18(23)2)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-14,18-19,22H,1,15-17H2,2-3H3/t18-,19+/m1/s1
InChIKeyVODDPJUIQWNVTH-MOPGFXCFSA-N
MW320.48 g/mol
LogP4.36
Rot. Bonds5

About (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine

(2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine (PubChem CID 10592239) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine
PubChem CID10592239
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name(2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine
SMILESC=CCN1C[C@H](C)N(C(c2ccccc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C22H28N2/c1-4-15-23-16-19(3)24(17-18(23)2)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-14,18-19,22H,1,15-17H2,2-3H3/t18-,19+/m1/s1
InChIKeyVODDPJUIQWNVTH-MOPGFXCFSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine?
The IUPAC name of (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine (CID 10592239) is (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine.
What is the SMILES notation for (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine?
The canonical SMILES for (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine is C=CCN1C[C@H](C)N(C(c2ccccc2)c2ccccc2)C[C@H]1C.
What is the InChIKey of (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine?
The InChIKey is VODDPJUIQWNVTH-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H28N2/c1-4-15-23-16-19(3)24(17-18(23)2)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-14,18-19,22H,1,15-17H2,2-3H3/t18-,19+/m1/s1.
What are the key properties of (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine?
(2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine has a molecular weight of 320.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzhydryl-2,5-dimethyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 10592239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).