(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride

C20H26Cl2N2 — CID 68577108

IUPAC(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
SMILESC=CCN1CCN(Cc2ccccc2)C[C@H]1c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24N2.2ClH/c1-2-13-22-15-14-21(16-18-9-5-3-6-10-18)17-20(22)19-11-7-4-8-12-19;;/h2-12,20H,1,13-17H2;2*1H/t20-;;/m0../s1
InChIKeyVOGLNNMMWCYOER-FJSYBICCSA-N
MW365.35 g/mol
LogP4.58
Rot. Bonds5

About (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride

(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride (PubChem CID 68577108) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride.

Molecular Properties

Compound Name(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
PubChem CID68577108
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC Name(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
SMILESC=CCN1CCN(Cc2ccccc2)C[C@H]1c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24N2.2ClH/c1-2-13-22-15-14-21(16-18-9-5-3-6-10-18)17-20(22)19-11-7-4-8-12-19;;/h2-12,20H,1,13-17H2;2*1H/t20-;;/m0../s1
InChIKeyVOGLNNMMWCYOER-FJSYBICCSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine
CID 68576883
3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939604
1-benzyl-4-iodo-2-phenylpiperazine
CID 163774548
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
CID 68738607
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-phenyl-1-prop-2-enylazetidine
CID 23632
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride?
The IUPAC name of (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride (CID 68577108) is (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride.
What is the SMILES notation for (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride?
The canonical SMILES for (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride is C=CCN1CCN(Cc2ccccc2)C[C@H]1c1ccccc1.Cl.Cl.
What is the InChIKey of (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride?
The InChIKey is VOGLNNMMWCYOER-FJSYBICCSA-N. The full InChI is InChI=1S/C20H24N2.2ClH/c1-2-13-22-15-14-21(16-18-9-5-3-6-10-18)17-20(22)19-11-7-4-8-12-19;;/h2-12,20H,1,13-17H2;2*1H/t20-;;/m0../s1.
What are the key properties of (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride?
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride is sourced from PubChem (CID 68577108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).