1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine

C16H23ClN2 — CID 106440345

IUPAC1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
SMILESC/C(=C\Cl)CN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C16H23ClN2/c1-13(9-17)10-19-11-14(2)18-12-16(19,3)15-7-5-4-6-8-15/h4-9,14,18H,10-12H2,1-3H3/b13-9+
InChIKeyBCRBBKBEYZFZKR-UKTHLTGXSA-N
MW278.83 g/mol
LogP3.34
Rot. Bonds3

About 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine

1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine (PubChem CID 106440345) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
PubChem CID106440345
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
SMILESC/C(=C\Cl)CN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C16H23ClN2/c1-13(9-17)10-19-11-14(2)18-12-16(19,3)15-7-5-4-6-8-15/h4-9,14,18H,10-12H2,1-3H3/b13-9+
InChIKeyBCRBBKBEYZFZKR-UKTHLTGXSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine (CID 106440345) is 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine is C/C(=C\Cl)CN1CC(C)NCC1(C)c1ccccc1.
What is the InChIKey of 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine?
The InChIKey is BCRBBKBEYZFZKR-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-13(9-17)10-19-11-14(2)18-12-16(19,3)15-7-5-4-6-8-15/h4-9,14,18H,10-12H2,1-3H3/b13-9+.
What are the key properties of 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine?
1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 106440345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).