1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine

C18H29FN2 — CID 105375695

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
SMILESCc1ccc(F)cc1CN1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C18H29FN2/c1-13(2)8-17-10-20-18(4,5)12-21(17)11-15-9-16(19)7-6-14(15)3/h6-7,9,13,17,20H,8,10-12H2,1-5H3
InChIKeyBBIXHJZMSXKHNN-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.73
Rot. Bonds4

About 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine

1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine (PubChem CID 105375695) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
PubChem CID105375695
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
SMILESCc1ccc(F)cc1CN1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C18H29FN2/c1-13(2)8-17-10-20-18(4,5)12-21(17)11-15-9-16(19)7-6-14(15)3/h6-7,9,13,17,20H,8,10-12H2,1-5H3
InChIKeyBBIXHJZMSXKHNN-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine (CID 105375695) is 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine is Cc1ccc(F)cc1CN1CC(C)(C)NCC1CC(C)C.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The InChIKey is BBIXHJZMSXKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13(2)8-17-10-20-18(4,5)12-21(17)11-15-9-16(19)7-6-14(15)3/h6-7,9,13,17,20H,8,10-12H2,1-5H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine has a molecular weight of 292.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 105375695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).