1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine

C16H23ClN2 — CID 143517140

IUPAC1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine
SMILESC=C(CC)N1CCN(c2ccc(C)cc2Cl)CC1C
InChIInChI=1S/C16H23ClN2/c1-5-13(3)19-9-8-18(11-14(19)4)16-7-6-12(2)10-15(16)17/h6-7,10,14H,3,5,8-9,11H2,1-2,4H3
InChIKeyRNFBHMRJRQRRRJ-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.08
Rot. Bonds3

About 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine

1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine (PubChem CID 143517140) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine
PubChem CID143517140
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine
SMILESC=C(CC)N1CCN(c2ccc(C)cc2Cl)CC1C
InChIInChI=1S/C16H23ClN2/c1-5-13(3)19-9-8-18(11-14(19)4)16-7-6-12(2)10-15(16)17/h6-7,10,14H,3,5,8-9,11H2,1-2,4H3
InChIKeyRNFBHMRJRQRRRJ-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine?
The IUPAC name of 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine (CID 143517140) is 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine is C=C(CC)N1CCN(c2ccc(C)cc2Cl)CC1C.
What is the InChIKey of 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine?
The InChIKey is RNFBHMRJRQRRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-5-13(3)19-9-8-18(11-14(19)4)16-7-6-12(2)10-15(16)17/h6-7,10,14H,3,5,8-9,11H2,1-2,4H3.
What are the key properties of 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine?
1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 143517140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).